 Entering Gaussian System, Link 0=g16
 Input=17_camphor_STD_wB97XD-def2SVPDr.in
 Output=17_camphor_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/17_camphor_STD/Gau-234742.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/17_camphor_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    234743.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=17_camphor_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:03:16 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "17_camphor_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.909392000000     -0.256340000000      0.424222000000
  C                                                -0.288665000000     -0.500024000000     -0.551274000000
  C                                                -0.053948000000      0.598961000000     -1.631490000000
  C                                                 0.591340000000      1.776614000000     -0.850814000000
  C                                                 0.596393000000      1.259663000000      0.600580000000
  C                                                -1.441722000000      0.068745000000      0.275102000000
  C                                                -0.867880000000      1.247572000000      1.065930000000
  C                                                -0.529239000000     -1.889055000000     -1.090275000000
  O                                                -2.580268000000     -0.322725000000      0.294255000000
  C                                                 2.280642000000     -0.533766000000     -0.190909000000
  C                                                 0.806031000000     -1.067470000000      1.719398000000
  H                                                 0.609760000000      0.209736000000     -2.403647000000
  H                                                -0.986507000000      0.874939000000     -2.124235000000
  H                                                 0.019349000000      2.699916000000     -0.943059000000
  H                                                 1.598811000000      1.987373000000     -1.206735000000
  H                                                -0.984333000000      1.058438000000      2.133454000000
  H                                                -1.413116000000      2.164495000000      0.837905000000
  H                                                 1.274732000000      1.792071000000      1.266719000000
  H                                                -1.431450000000     -1.907859000000     -1.702944000000
  H                                                -0.672824000000     -2.608440000000     -0.282929000000
  H                                                 0.309210000000     -2.221656000000     -1.704806000000
  H                                                 2.441196000000     -0.030031000000     -1.141406000000
  H                                                 2.414644000000     -1.604084000000     -0.357383000000
  H                                                 3.068204000000     -0.208479000000      0.493063000000
  H                                                -0.176749000000     -1.018099000000      2.186698000000
  H                                                 1.540309000000     -0.715601000000      2.447452000000
  H                                                 1.016848000000     -2.120323000000      1.524992000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:03:16 2021, MaxMem= 17179869184 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591340    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529239   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322725    0.294255
     10          6           0        2.280642   -0.533766   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019349    2.699916   -0.943059
     15          1           0        1.598811    1.987373   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413116    2.164495    0.837905
     18          1           0        1.274732    1.792071    1.266719
     19          1           0       -1.431450   -1.907859   -1.702944
     20          1           0       -0.672824   -2.608440   -0.282929
     21          1           0        0.309210   -2.221656   -1.704806
     22          1           0        2.441196   -0.030031   -1.141406
     23          1           0        2.414644   -1.604084   -0.357383
     24          1           0        3.068204   -0.208479    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016848   -2.120323    1.524992
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.564070   0.000000
     3  C    2.426008   1.558758   0.000000
     4  C    2.420697   2.459108   1.553293   0.000000
     5  C    1.557991   2.281796   2.416942   1.540717   0.000000
     6  C    2.378162   1.528377   2.417052   2.884067   2.382884
     7  C    2.415002   2.450496   2.891238   2.466397   1.536487
     8  C    2.651248   1.509240   2.590181   3.840595   3.747061
     9  O    3.492710   2.449040   3.307611   3.972091   3.562157
    10  C    1.528292   2.594675   2.967938   2.937188   2.584480
    11  C    1.531697   2.583855   3.839923   3.839387   2.590608
    12  H    2.881640   2.177662   1.090060   2.206068   3.182437
    13  H    3.371774   2.202660   1.090242   2.219058   3.174618
    14  H    3.376549   3.238516   2.212085   1.090032   2.188637
    15  H    2.858245   3.190508   2.199936   1.089081   2.191071
    16  H    2.869897   3.181277   3.905322   3.450272   2.211083
    17  H    3.380180   3.208406   3.224306   2.649541   2.216567
    18  H    2.244830   3.317078   3.404191   2.225131   1.089653
    19  H    3.568178   2.148092   2.861252   4.288723   4.410393
    20  H    2.921617   2.159862   3.533984   4.598837   4.165780
    21  H    2.958960   2.156874   2.844844   4.098178   4.185315
    22  H    2.202006   2.832188   2.619457   2.601995   2.846247
    23  H    2.166357   2.926503   3.545519   3.872600   3.524880
    24  H    2.160440   3.527635   3.861802   3.446949   2.876952
    25  H    2.205969   2.788802   4.148316   4.198435   2.881270
    26  H    2.168510   3.519088   4.572472   4.241490   2.864189
    27  H    2.167412   2.939492   4.301684   4.583844   3.529253
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.531123   0.000000
     8  C    2.555359   3.821299   0.000000
     9  O    1.204119   2.448180   2.928657   0.000000
    10  C    3.799497   3.829621   3.246706   4.889618   0.000000
    11  C    2.903338   2.930600   3.217485   3.748693   2.471556
    12  H    3.377004   3.911328   2.725287   4.211706   2.870688
    13  H    2.571767   3.214044   2.986274   3.134257   4.049254
    14  H    3.246799   2.632967   4.623989   4.174364   4.016948
    15  H    3.888678   3.434658   4.423670   5.005420   2.802309
    16  H    2.154569   1.090385   4.391726   2.799513   4.312521
    17  H    2.170192   1.090883   4.574974   2.800725   4.688595
    18  H    3.366345   2.219816   4.728681   4.503229   2.923363
    19  H    2.796379   4.235684   1.090734   2.796647   4.237217
    20  H    2.840761   4.089779   1.090843   3.032487   3.610499
    21  H    3.497390   4.593263   1.091452   3.993904   3.004563
    22  H    4.134405   4.177869   3.504578   5.230860   1.087645
    23  H    4.250877   4.575230   3.047095   5.197659   1.091444
    24  H    4.523692   4.235684   4.274680   5.653124   1.092650
    25  H    2.536846   2.620505   3.409012   3.137163   3.453457
    26  H    3.771845   3.400298   4.263278   4.665808   2.746289
    27  H    3.521194   3.886599   3.046882   4.205391   2.656813
                   11         12         13         14         15
    11  C    0.000000
    12  H    4.320796   0.000000
    13  H    4.664725   1.751752   0.000000
    14  H    4.679823   2.946676   2.395300   0.000000
    15  H    4.303815   2.360257   2.960268   1.752696   0.000000
    16  H    2.810041   4.883310   4.261642   3.628603   4.323473
    17  H    4.018363   4.291942   3.258715   2.347438   3.644671
    18  H    2.932844   4.051859   4.177667   2.698757   2.502228
    19  H    4.174326   3.023530   2.849460   4.890177   4.959994
    20  H    2.927612   3.752943   3.952560   5.393841   5.209150
    21  H    3.647485   2.547622   3.382854   4.988602   4.430245
    22  H    3.454597   2.237163   3.678868   3.654763   2.187190
    23  H    2.681158   3.276392   4.564554   4.960330   3.779622
    24  H    2.712783   3.822274   4.946183   4.451598   3.141687
    25  H    1.089341   4.816372   4.777389   4.863894   4.868353
    26  H    1.092263   5.025468   5.460306   5.047241   4.545610
    27  H    1.091209   4.585750   5.128536   5.506449   4.967311
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756606   0.000000
    18  H    2.528403   2.747200   0.000000
    19  H    4.869988   4.800033   5.461850   0.000000
    20  H    4.402492   4.958347   5.055579   1.755782   0.000000
    21  H    5.211958   5.354447   5.086472   1.768720   1.770798
    22  H    4.862481   4.856886   3.237246   4.340386   4.133073
    23  H    4.984610   5.502967   3.933316   4.085982   3.247573
    24  H    4.551815   5.082534   2.795941   5.287459   4.511903
    25  H    2.228684   3.671069   3.293966   4.182734   2.978982
    26  H    3.101552   4.428128   2.784435   5.242005   3.991964
    27  H    3.805190   4.973578   3.929381   4.056954   2.522266
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.109020   0.000000
    23  H    2.574839   1.758704   0.000000
    24  H    4.061472   1.759679   1.760146   0.000000
    25  H    4.102257   4.348125   3.678457   3.748814   0.000000
    26  H    4.585308   3.763178   3.069359   2.532049   1.762891
    27  H    3.307962   3.675291   2.400765   2.987990   1.754259
                   26         27
    26  H    0.000000
    27  H    1.760167   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.73D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591339    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529238   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322726    0.294255
     10          6           0        2.280642   -0.533765   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019348    2.699916   -0.943059
     15          1           0        1.598810    1.987374   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413117    2.164495    0.837905
     18          1           0        1.274731    1.792071    1.266719
     19          1           0       -1.431449   -1.907859   -1.702944
     20          1           0       -0.672823   -2.608440   -0.282929
     21          1           0        0.309211   -2.221656   -1.704806
     22          1           0        2.441196   -0.030030   -1.141406
     23          1           0        2.414644   -1.604083   -0.357383
     24          1           0        3.068204   -0.208478    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016849   -2.120323    1.524992
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4525294           1.1850540           1.0991328
 Leave Link  202 at Thu Jul 22 20:03:16 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       688.1944666599 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0245036637 Hartrees.
 Nuclear repulsion after empirical dispersion term =      688.1699629962 Hartrees.
 Leave Link  301 at Thu Jul 22 20:03:17 2021, MaxMem= 17179869184 cpu:               7.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  6.44D-06  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Jul 22 20:03:17 2021, MaxMem= 17179869184 cpu:               4.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:03:17 2021, MaxMem= 17179869184 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "17_camphor_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:03:18 2021, MaxMem= 17179869184 cpu:               4.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179582699 LenY= 17179443129
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.484754860669    
 DIIS: error= 4.45D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.484754860669     IErMin= 1 ErrMin= 4.45D-03
 ErrMax= 4.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-02 BMatP= 1.24D-02
 IDIUse=3 WtCom= 9.56D-01 WtEn= 4.45D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.375 Goal=   None    Shift=    0.000
 GapD=    0.375 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.49D-03 MaxDP=8.93D-01              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.93D-03    CP:  1.12D+00
 E= -465.494629967897     Delta-E=       -0.009875107228 Rises=F Damp=F
 DIIS: error= 8.45D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.494629967897     IErMin= 2 ErrMin= 8.45D-04
 ErrMax= 8.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-04 BMatP= 1.24D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.45D-03
 Coeff-Com: -0.270D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.268D-01 0.103D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.34D-03 MaxDP=1.91D-01 DE=-9.88D-03 OVMax= 7.71D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.62D-04    CP:  1.15D+00  1.10D+00
 E= -465.494892481998     Delta-E=       -0.000262514101 Rises=F Damp=F
 DIIS: error= 7.35D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.494892481998     IErMin= 3 ErrMin= 7.35D-04
 ErrMax= 7.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-04 BMatP= 2.87D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.35D-03
 Coeff-Com: -0.419D-01 0.497D+00 0.545D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.415D-01 0.494D+00 0.548D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.13D-04 MaxDP=9.68D-03 DE=-2.63D-04 OVMax= 3.05D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.02D-04    CP:  1.15D+00  1.11D+00  1.02D+00
 E= -465.495057915686     Delta-E=       -0.000165433687 Rises=F Damp=F
 DIIS: error= 2.06D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.495057915686     IErMin= 4 ErrMin= 2.06D-04
 ErrMax= 2.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-05 BMatP= 2.39D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.06D-03
 Coeff-Com: -0.146D-01 0.986D-01 0.224D+00 0.692D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.145D-01 0.984D-01 0.223D+00 0.693D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=5.01D-05 MaxDP=4.35D-03 DE=-1.65D-04 OVMax= 8.99D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.00D-05    CP:  1.15D+00  1.11D+00  1.05D+00  1.12D+00
 E= -465.495069482416     Delta-E=       -0.000011566730 Rises=F Damp=F
 DIIS: error= 5.70D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.495069482416     IErMin= 5 ErrMin= 5.70D-05
 ErrMax= 5.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-06 BMatP= 1.63D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.977D-04-0.309D-01 0.534D-02 0.309D+00 0.716D+00
 Coeff:      0.977D-04-0.309D-01 0.534D-02 0.309D+00 0.716D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=3.34D-05 MaxDP=3.51D-03 DE=-1.16D-05 OVMax= 3.16D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.29D-05    CP:  1.15D+00  1.11D+00  1.07D+00  1.10D+00  8.12D-01
 E= -465.495072057708     Delta-E=       -0.000002575292 Rises=F Damp=F
 DIIS: error= 1.17D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.495072057708     IErMin= 6 ErrMin= 1.17D-05
 ErrMax= 1.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-07 BMatP= 2.65D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.830D-03-0.154D-01-0.115D-01 0.473D-01 0.225D+00 0.754D+00
 Coeff:      0.830D-03-0.154D-01-0.115D-01 0.473D-01 0.225D+00 0.754D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=7.88D-06 MaxDP=5.21D-04 DE=-2.58D-06 OVMax= 8.75D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.92D-06    CP:  1.15D+00  1.11D+00  1.07D+00  1.10D+00  9.01D-01
                    CP:  9.11D-01
 E= -465.495072162071     Delta-E=       -0.000000104363 Rises=F Damp=F
 DIIS: error= 2.51D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.495072162071     IErMin= 7 ErrMin= 2.51D-06
 ErrMax= 2.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.82D-09 BMatP= 1.03D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.310D-03-0.364D-02-0.412D-02-0.436D-02 0.376D-01 0.275D+00
 Coeff-Com:  0.699D+00
 Coeff:      0.310D-03-0.364D-02-0.412D-02-0.436D-02 0.376D-01 0.275D+00
 Coeff:      0.699D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.85D-06 MaxDP=2.02D-04 DE=-1.04D-07 OVMax= 2.70D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.22D-06    CP:  1.15D+00  1.11D+00  1.07D+00  1.10D+00  9.12D-01
                    CP:  9.50D-01  1.01D+00
 E= -465.495072172833     Delta-E=       -0.000000010762 Rises=F Damp=F
 DIIS: error= 7.37D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.495072172833     IErMin= 8 ErrMin= 7.37D-07
 ErrMax= 7.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.84D-10 BMatP= 9.82D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.470D-04 0.116D-02 0.105D-02-0.700D-02-0.188D-01-0.486D-01
 Coeff-Com:  0.975D-01 0.975D+00
 Coeff:     -0.470D-04 0.116D-02 0.105D-02-0.700D-02-0.188D-01-0.486D-01
 Coeff:      0.975D-01 0.975D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=7.61D-07 MaxDP=5.56D-05 DE=-1.08D-08 OVMax= 1.78D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.41D-07    CP:  1.15D+00  1.11D+00  1.07D+00  1.10D+00  9.16D-01
                    CP:  9.62D-01  1.09D+00  1.09D+00
 E= -465.495072173856     Delta-E=       -0.000000001024 Rises=F Damp=F
 DIIS: error= 2.18D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.495072173856     IErMin= 9 ErrMin= 2.18D-07
 ErrMax= 2.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.89D-11 BMatP= 5.84D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.329D-04 0.576D-03 0.608D-03-0.194D-02-0.753D-02-0.296D-01
 Coeff-Com: -0.141D-01 0.280D+00 0.772D+00
 Coeff:     -0.329D-04 0.576D-03 0.608D-03-0.194D-02-0.753D-02-0.296D-01
 Coeff:     -0.141D-01 0.280D+00 0.772D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=1.73D-07 MaxDP=1.43D-05 DE=-1.02D-09 OVMax= 3.91D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.16D-07    CP:  1.15D+00  1.11D+00  1.07D+00  1.10D+00  9.17D-01
                    CP:  9.61D-01  1.10D+00  1.16D+00  1.05D+00
 E= -465.495072173911     Delta-E=       -0.000000000055 Rises=F Damp=F
 DIIS: error= 7.72D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.495072173911     IErMin=10 ErrMin= 7.72D-08
 ErrMax= 7.72D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.22D-12 BMatP= 4.89D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.422D-05 0.324D-04 0.570D-04 0.176D-03-0.408D-04-0.279D-02
 Coeff-Com: -0.160D-01-0.381D-01 0.219D+00 0.838D+00
 Coeff:     -0.422D-05 0.324D-04 0.570D-04 0.176D-03-0.408D-04-0.279D-02
 Coeff:     -0.160D-01-0.381D-01 0.219D+00 0.838D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=5.52D-08 MaxDP=2.06D-06 DE=-5.46D-11 OVMax= 2.33D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.16D-08    CP:  1.15D+00  1.11D+00  1.07D+00  1.10D+00  9.17D-01
                    CP:  9.60D-01  1.10D+00  1.17D+00  1.13D+00  9.81D-01
 E= -465.495072173942     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 2.41D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.495072173942     IErMin=11 ErrMin= 2.41D-08
 ErrMax= 2.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.28D-13 BMatP= 6.22D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.320D-05-0.638D-04-0.599D-04 0.248D-03 0.924D-03 0.329D-02
 Coeff-Com:  0.144D-03-0.384D-01-0.615D-01 0.113D+00 0.983D+00
 Coeff:      0.320D-05-0.638D-04-0.599D-04 0.248D-03 0.924D-03 0.329D-02
 Coeff:      0.144D-03-0.384D-01-0.615D-01 0.113D+00 0.983D+00
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=2.32D-08 MaxDP=2.87D-06 DE=-3.14D-11 OVMax= 1.39D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.46D-08    CP:  1.15D+00  1.11D+00  1.07D+00  1.10D+00  9.17D-01
                    CP:  9.60D-01  1.09D+00  1.17D+00  1.15D+00  1.02D+00
                    CP:  1.16D+00
 E= -465.495072173937     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 1.10D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.495072173942     IErMin=12 ErrMin= 1.10D-08
 ErrMax= 1.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.28D-14 BMatP= 5.28D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.677D-06-0.811D-05-0.942D-05 0.604D-06 0.661D-04 0.462D-03
 Coeff-Com:  0.174D-02 0.166D-02-0.265D-01-0.834D-01 0.491D-01 0.106D+01
 Coeff:      0.677D-06-0.811D-05-0.942D-05 0.604D-06 0.661D-04 0.462D-03
 Coeff:      0.174D-02 0.166D-02-0.265D-01-0.834D-01 0.491D-01 0.106D+01
 Gap=     0.375 Goal=   None    Shift=    0.000
 RMSDP=7.44D-09 MaxDP=4.91D-07 DE= 5.46D-12 OVMax= 7.13D-07

 SCF Done:  E(RwB97XD) =  -465.495072174     A.U. after   12 cycles
            NFock= 12  Conv=0.74D-08     -V/T= 2.0121
 KE= 4.599116967713D+02 PE=-2.454206481099D+03 EE= 8.406297491575D+02
 Leave Link  502 at Thu Jul 22 20:05:06 2021, MaxMem= 17179869184 cpu:            1293.2 elap:             108.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.10861079D+03

 Leave Link  801 at Thu Jul 22 20:05:07 2021, MaxMem= 17179869184 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8166 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 1.69D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.52D-01 8.20D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 3.47D-02 3.25D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 3.84D-03 1.23D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 5.56D-04 5.39D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 4.23D-05 1.74D-03.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 1.42D-06 2.91D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 4.50D-08 4.69D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 1.21D-09 8.23D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 2.85D-11 8.32D-07.
      8 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 6.04D-13 1.15D-07.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 1.24D-14 1.38D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.117960D+03
      2  0.101897D+01  0.113186D+03
      3 -0.244087D+00  0.125845D+01  0.109525D+03
 Isotropic polarizability for W=    0.085645      113.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.231667D+02 -0.132423D+02  0.109509D+02
      2  -0.150584D+02  0.612458D+01 -0.811431D+01
      3  -0.810830D+01  0.711771D+01 -0.283654D+01
      4  -0.177221D+02  0.323813D+02 -0.163214D+02
      5   0.790664D+01 -0.164351D+02  0.417661D+02
      6  -0.102080D+02 -0.137992D+02 -0.480636D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.680309D-01 -0.443632D+01  0.182235D+01
      2   0.167742D+01 -0.390694D+01  0.205493D+02
      3   0.488330D+01 -0.168619D+02  0.446767D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.113678D+00 -0.568487D+01  0.119241D+02
      2   0.304421D+01 -0.611334D+01  0.498744D+02
      3  -0.447984D+01 -0.474397D+02  0.622702D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.251945D+00  0.359644D+00 -0.745884D+00
      2   0.359644D+00  0.671484D+00 -0.617515D+00
      3  -0.745884D+00 -0.617515D+00 -0.430731D+00
 OR G Eigenvalues:    -0.9842     0.1161     1.3608  Iso=    -0.1642
 Eigenvectors:
   (1)   0.455378   0.222589   0.862024
   (2)   0.707235  -0.678572  -0.198390
   (3)   0.540786   0.699996  -0.466429
 w=    0.085645 a.u., Optical Rotation Beta=     -0.1642 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -51.16 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 5.55D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.06D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 2.81D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 2.53D-02 3.58D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 2.89D-03 1.31D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 6.11D-05 1.22D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.09D-06 1.22D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.05D-08 1.23D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 8.44D-11 1.10D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 6.63D-13 1.11D-07.
     11 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 5.36D-15 6.80D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   251 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.76D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.76D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.41D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.117960D+03  0.101897D+01 -0.244087D+00
      2   0.101897D+01  0.113186D+03  0.125845D+01
      3  -0.244087D+00  0.125845D+01  0.109525D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.680309D-01 -0.443632D+01  0.182235D+01
      2   0.167742D+01 -0.390694D+01  0.205493D+02
      3   0.488330D+01 -0.168619D+02  0.446767D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.231667D+02 -0.132423D+02  0.109509D+02
      2  -0.150584D+02  0.612458D+01 -0.811431D+01
      3  -0.810830D+01  0.711771D+01 -0.283654D+01
      4  -0.177221D+02  0.323813D+02 -0.163214D+02
      5   0.790664D+01 -0.164351D+02  0.417661D+02
      6  -0.102080D+02 -0.137992D+02 -0.480636D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.137094D+01  0.142756D+01  0.530119D+01  0.998620D+00  0.242803D+01
      2   0.142756D+01  0.255617D+01  0.301900D+00  0.242803D+01 -0.562534D+01
      3   0.530119D+01  0.301900D+00  0.255415D+01  0.483392D-02 -0.145371D+01
                 6             7             8             9            10 
      1   0.483392D-02  0.627169D+01  0.490892D+00  0.202088D+01 -0.420917D+01
      2  -0.145371D+01  0.490892D+00 -0.152634D+01  0.371722D+01 -0.198786D+01
      3   0.298475D+01  0.202088D+01  0.371722D+01 -0.104359D+01 -0.397974D+01
                11            12            13            14            15 
      1  -0.198786D+01 -0.397974D+01 -0.224519D+01  0.618331D+00  0.202964D+01
      2   0.850738D+00  0.199342D+01  0.618331D+00  0.637445D+00  0.288355D+01
      3   0.199342D+01 -0.729111D+00  0.202964D+01  0.288355D+01 -0.356789D+01
                16            17            18            19            20 
      1  -0.385921D+01  0.204882D+01 -0.207162D+01  0.214397D+01 -0.364313D+00
      2   0.204882D+01  0.236583D+01 -0.268298D+01 -0.364313D+00 -0.118435D+01
      3  -0.207162D+01 -0.268298D+01 -0.136637D+01  0.383933D+01 -0.257724D+01
                21            22            23            24            25 
      1   0.383933D+01  0.516702D+00 -0.296858D+00 -0.352998D+01  0.255672D+01
      2  -0.257724D+01 -0.296858D+00  0.542588D+00 -0.246352D+01 -0.230336D+01
      3  -0.680507D+00 -0.352998D+01 -0.246352D+01  0.228797D+01 -0.204096D+00
                26            27            28            29            30 
      1  -0.230336D+01 -0.204096D+00 -0.355468D+01 -0.225026D+01  0.221718D+01
      2  -0.312442D+01  0.150369D+01 -0.225026D+01  0.371822D+01  0.907499D+00
      3   0.150369D+01  0.199386D+01  0.221718D+01  0.907499D+00 -0.227924D+00
                31            32            33            34            35 
      1  -0.949378D+00  0.303215D+01  0.909287D+00  0.192791D+01  0.103570D+01
      2   0.303215D+01 -0.319664D+01  0.182235D+01  0.103570D+01  0.153775D+01
      3   0.909287D+00  0.182235D+01  0.178519D+01  0.379779D-02  0.169201D+01
                36            37            38            39            40 
      1   0.379779D-02  0.117389D+01 -0.100374D+01 -0.378220D+01  0.109883D+00
      2   0.169201D+01 -0.100374D+01 -0.308462D+01 -0.150890D+01 -0.394141D+01
      3  -0.273337D+01 -0.378220D+01 -0.150890D+01 -0.159867D+01 -0.163089D+01
                41            42            43            44            45 
      1  -0.394141D+01 -0.163089D+01 -0.309847D+01 -0.152938D+01 -0.170571D+01
      2   0.471823D+01 -0.131768D+01 -0.152938D+01 -0.254957D+00 -0.329901D+01
      3  -0.131768D+01 -0.254210D+01 -0.170571D+01 -0.329901D+01  0.203855D+01
                46            47            48            49            50 
      1   0.812060D+01  0.308801D+01  0.117301D+00  0.281191D+01 -0.886977D+00
      2   0.308801D+01 -0.296218D+01 -0.274681D+01 -0.886977D+00 -0.629216D+00
      3   0.117301D+00 -0.274681D+01 -0.149930D+01 -0.164949D+01 -0.909279D+00
                51            52            53            54            55 
      1  -0.164949D+01  0.210902D+00 -0.129074D+01  0.266811D+00 -0.158026D+01
      2  -0.909279D+00 -0.129074D+01 -0.667513D+00  0.441318D+00 -0.948164D+00
      3   0.958949D-01  0.266811D+00  0.441318D+00  0.151704D+01  0.138917D+01
                56            57            58            59            60 
      1  -0.948164D+00  0.138917D+01 -0.151250D+01  0.343087D+01  0.916145D+00
      2   0.450274D+01  0.123099D+01  0.343087D+01 -0.296235D+01  0.144758D+01
      3   0.123099D+01  0.128877D+01  0.916145D+00  0.144758D+01  0.196861D+01
                61            62            63            64            65 
      1   0.387883D+00 -0.414767D+00  0.950899D+00  0.144932D+01  0.190084D+01
      2  -0.414767D+00  0.182960D+01  0.725962D+00  0.190084D+01 -0.317448D+00
      3   0.950899D+00  0.725962D+00 -0.524579D+01  0.457981D+01 -0.121437D+01
                66            67            68            69            70 
      1   0.457981D+01  0.132063D+01 -0.754154D+00 -0.130025D+01  0.381411D+01
      2  -0.121437D+01 -0.754154D+00 -0.593815D+00 -0.293956D+01 -0.139742D+01
      3   0.908175D+00 -0.130025D+01 -0.293956D+01  0.230629D+01  0.852095D+00
                71            72            73            74            75 
      1  -0.139742D+01  0.852095D+00 -0.163780D+02 -0.306568D+01  0.106033D+01
      2  -0.298040D+01  0.285994D+01 -0.306568D+01 -0.127521D+01  0.879660D+00
      3   0.285994D+01  0.624288D+00  0.106033D+01  0.879660D+00 -0.114357D+01
                76            77            78            79            80 
      1  -0.337625D+01 -0.345838D+01  0.492533D+00  0.405498D+00  0.185257D+00
      2  -0.345838D+01 -0.210290D+01  0.594409D+00  0.185257D+00  0.157406D+00
      3   0.492533D+00  0.594409D+00 -0.381193D+00 -0.298480D+01 -0.845038D+00
                81            82            83            84            85 
      1  -0.298480D+01 -0.473216D+00 -0.177604D+01 -0.418365D+01 -0.222787D+01
      2  -0.845038D+00 -0.177604D+01 -0.129141D+01 -0.244389D+00 -0.199440D+01
      3   0.269656D-01 -0.418365D+01 -0.244389D+00 -0.179158D+01 -0.406750D+00
                86            87            88            89            90 
      1  -0.199440D+01 -0.406750D+00 -0.487887D+01 -0.382876D+00 -0.218337D+01
      2   0.519826D+01  0.168798D+01 -0.382876D+00  0.166916D+01 -0.264425D+01
      3   0.168798D+01 -0.275386D+01 -0.218337D+01 -0.264425D+01  0.220620D+01
                91            92            93            94            95 
      1   0.182950D+01 -0.625170D+00 -0.457416D+01 -0.902186D+00 -0.170056D+01
      2  -0.625170D+00 -0.147131D+01 -0.627855D+00 -0.170056D+01  0.509006D+01
      3  -0.457416D+01 -0.627855D+00 -0.181477D+01 -0.895801D+00  0.129022D+01
                96            97            98            99           100 
      1  -0.895801D+00 -0.430542D+01 -0.785860D+00 -0.170830D+01  0.241532D+01
      2   0.129022D+01 -0.785860D+00  0.197883D+01 -0.277117D+01 -0.359826D+00
      3  -0.330428D+01 -0.170830D+01 -0.277117D+01 -0.148175D+00 -0.204394D+01
               101           102           103           104           105 
      1  -0.359826D+00 -0.204394D+01 -0.920500D+00  0.660296D+00  0.119777D+01
      2   0.112906D+01  0.619402D+00  0.660296D+00 -0.112317D+01 -0.926192D+00
      3   0.619402D+00  0.335310D+01  0.119777D+01 -0.926192D+00 -0.249730D+01
               106           107           108           109           110 
      1  -0.166755D+01  0.439788D+00  0.211420D+01 -0.437087D+01  0.976389D+00
      2   0.439788D+00 -0.822396D+00 -0.100888D+01  0.976389D+00 -0.137364D+01
      3   0.211420D+01 -0.100888D+01 -0.613693D+01 -0.333649D+01  0.126212D+01
               111           112           113           114           115 
      1  -0.333649D+01  0.797005D+00 -0.937324D+00  0.830671D+00 -0.196938D+01
      2   0.126212D+01 -0.937324D+00  0.974651D+00 -0.866346D+00  0.746854D+00
      3  -0.365342D+01  0.830671D+00 -0.866346D+00  0.803372D+00 -0.202522D+01
               116           117           118           119           120 
      1   0.746854D+00 -0.202522D+01 -0.981307D+00  0.194353D+01 -0.610253D+00
      2  -0.570403D+00  0.691763D+00  0.194353D+01 -0.373193D+01  0.696523D+00
      3   0.691763D+00 -0.372086D+01 -0.610253D+00  0.696523D+00 -0.863354D+00
               121           122           123           124           125 
      1   0.143002D+01 -0.183036D+01  0.237269D+00 -0.336150D+00  0.323828D-01
      2  -0.183036D+01  0.868794D+01 -0.167543D+01  0.323828D-01 -0.787552D+00
      3   0.237269D+00 -0.167543D+01  0.125050D+01 -0.415145D+00  0.104465D+01
               126           127           128           129           130 
      1  -0.415145D+00  0.644221D+01  0.265956D+01 -0.209976D+01  0.132367D+01
      2   0.104465D+01  0.265956D+01  0.237457D+01 -0.119793D+01  0.137484D+01
      3  -0.334013D+00 -0.209976D+01 -0.119793D+01  0.194179D+01 -0.647541D+00
               131           132           133           134           135 
      1   0.137484D+01 -0.647541D+00 -0.178143D+01 -0.861028D+00  0.148597D+01
      2   0.194440D+01 -0.850494D+00 -0.861028D+00 -0.106573D+01  0.686041D+00
      3  -0.850494D+00  0.369121D+00  0.148597D+01  0.686041D+00 -0.126574D+01
               136           137           138           139           140 
      1  -0.199885D+00  0.115759D+00  0.123622D+01 -0.382640D+00 -0.317294D+00
      2   0.115759D+00 -0.594123D+00 -0.381301D+00 -0.317294D+00  0.179140D+00
      3   0.123622D+01 -0.381301D+00 -0.129099D+01  0.149965D+00  0.823005D+00
               141           142           143           144           145 
      1   0.149965D+00  0.164439D+01 -0.209514D+00 -0.143449D+01 -0.270392D+01
      2   0.823005D+00 -0.209514D+00  0.140285D+01  0.101699D+01  0.261221D+01
      3  -0.918792D+00 -0.143449D+01  0.101699D+01  0.894302D+01  0.214658D+00
               146           147           148           149           150 
      1   0.261221D+01  0.214658D+00  0.272721D+01 -0.301063D+01 -0.476900D+00
      2  -0.352136D+01 -0.700682D+00 -0.301063D+01  0.719928D+01  0.494438D+00
      3  -0.700682D+00 -0.803581D+00 -0.476900D+00  0.494438D+00  0.100423D+01
               151           152           153           154           155 
      1  -0.774831D+00  0.523264D+00 -0.424389D+00  0.363307D+01  0.232494D+01
      2   0.523264D+00 -0.107021D+01  0.879414D+00  0.232494D+01  0.261522D+01
      3  -0.424389D+00  0.879414D+00  0.566881D+00  0.250875D+01  0.145364D+01
               156           157           158           159           160 
      1   0.250875D+01  0.143571D+01  0.211326D+01  0.902129D+00  0.233443D+01
      2   0.145364D+01  0.211326D+01  0.291629D+01  0.184401D+01  0.135440D+01
      3   0.232060D+01  0.902129D+00  0.184401D+01  0.183307D+01  0.218115D+01
               161           162           163           164           165 
      1   0.135440D+01  0.218115D+01 -0.482309D+01 -0.175068D+01 -0.321549D+01
      2   0.210946D+01  0.241934D+01 -0.175068D+01 -0.207317D+01 -0.117489D+01
      3   0.241934D+01  0.345786D+01 -0.321549D+01 -0.117489D+01 -0.306563D+01
               166           167           168           169           170 
      1  -0.502002D+00 -0.887509D+00 -0.159914D+00 -0.283077D+01 -0.782257D+00
      2  -0.887509D+00 -0.414651D+00 -0.399329D+00 -0.782257D+00 -0.946532D+00
      3  -0.159914D+00 -0.399329D+00 -0.346813D+00 -0.239533D+01 -0.149280D+01
               171           172           173           174           175 
      1  -0.239533D+01 -0.709235D+00 -0.111041D+01  0.116295D-01 -0.934690D+00
      2  -0.149280D+01 -0.111041D+01 -0.915243D+00  0.400505D+00 -0.812007D+00
      3  -0.332992D+01  0.116295D-01  0.400505D+00 -0.417230D+00  0.319356D+00
               176           177           178           179           180 
      1  -0.812007D+00  0.319356D+00  0.605643D+00  0.813487D+00 -0.332764D+00
      2  -0.535690D+01  0.200435D+01  0.813487D+00  0.417649D+01 -0.193023D+01
      3   0.200435D+01 -0.169626D+01 -0.332764D+00 -0.193023D+01  0.263119D+01
               181           182           183           184           185 
      1   0.292975D+01 -0.155140D+01 -0.208323D+01 -0.972327D+00  0.127648D+01
      2  -0.155140D+01  0.266063D+01  0.165362D+01  0.127648D+01 -0.187091D+01
      3  -0.208323D+01  0.165362D+01  0.235266D+01  0.813950D+00 -0.939089D+00
               186           187           188           189           190 
      1   0.813950D+00 -0.195300D+01  0.975953D+00  0.139008D+01  0.616022D+00
      2  -0.939089D+00  0.975953D+00 -0.164307D+01 -0.203069D+01  0.914159D+00
      3  -0.121255D+01  0.139008D+01 -0.203069D+01 -0.314694D+01 -0.104977D+01
               191           192           193           194           195 
      1   0.914159D+00 -0.104977D+01  0.184394D+01  0.240459D+00 -0.448670D+00
      2   0.211048D+00 -0.226657D+00  0.240459D+00  0.102160D+01 -0.132845D+01
      3  -0.226657D+00  0.115239D+01 -0.448670D+00 -0.132845D+01  0.184582D+01
               196           197           198           199           200 
      1  -0.220328D+01 -0.941749D-01  0.181239D+01  0.121673D+01 -0.115751D+01
      2  -0.941749D-01 -0.160477D+01  0.154431D+01 -0.115751D+01  0.112112D+01
      3   0.181239D+01  0.154431D+01 -0.491788D+01  0.552668D-01  0.242005D+00
               201           202           203           204           205 
      1   0.552668D-01 -0.282559D+01  0.276237D+01  0.557237D+00  0.872473D-01
      2   0.242005D+00  0.276237D+01 -0.714914D+01 -0.115394D+01  0.380671D+00
      3   0.348475D+00  0.557237D+00 -0.115394D+01 -0.109675D+01  0.703493D+00
               206           207           208           209           210 
      1   0.380671D+00  0.703493D+00  0.707619D+01  0.835329D+00  0.251637D+01
      2  -0.969872D+00 -0.801764D+00  0.835329D+00  0.101699D+01  0.241164D+00
      3  -0.801764D+00 -0.716670D+00  0.251637D+01  0.241164D+00  0.171491D+01
               211           212           213           214           215 
      1   0.231771D+01  0.134904D+01  0.678848D+00  0.487439D+01  0.326421D+00
      2   0.134904D+01  0.217919D+00  0.379691D+00  0.326421D+00  0.725808D+00
      3   0.678848D+00  0.379691D+00  0.902672D+00  0.241498D+01  0.572379D+00
               216           217           218           219           220 
      1   0.241498D+01 -0.446870D+01  0.128902D+00  0.210987D+01  0.332835D+00
      2   0.572379D+00  0.128902D+00 -0.143972D+01  0.946502D+00 -0.848378D+00
      3   0.211738D+01  0.210987D+01  0.946502D+00 -0.289046D+01  0.382809D+00
               221           222           223           224           225 
      1  -0.848378D+00  0.382809D+00  0.188594D+01  0.350987D+00 -0.151952D+01
      2  -0.128488D+00  0.189543D+00  0.350987D+00  0.308176D+00 -0.138079D+00
      3   0.189543D+00  0.317613D+00 -0.151952D+01 -0.138079D+00  0.264301D+01
               226           227           228           229           230 
      1   0.341299D+01  0.158811D+00  0.322164D+01  0.115498D+01  0.799927D+00
      2   0.158811D+00  0.109803D+01 -0.355080D-01  0.799927D+00  0.150896D+00
      3   0.322164D+01 -0.355080D-01  0.396026D+01  0.964475D+00  0.630296D+00
               231           232           233           234           235 
      1   0.964475D+00  0.255322D+01  0.115636D+00  0.292458D+01  0.621861D+00
      2   0.630296D+00  0.115636D+00  0.594509D+00  0.356958D+00 -0.113495D+01
      3   0.203936D+01  0.292458D+01  0.356958D+00  0.555026D+01  0.579961D+00
               236           237           238           239           240 
      1  -0.113495D+01  0.579961D+00 -0.136968D+01  0.159019D+01 -0.240734D+00
      2   0.138118D+01 -0.192419D+00  0.159019D+01 -0.832517D+01  0.113160D+01
      3  -0.192419D+00  0.574825D+00 -0.240734D+00  0.113160D+01 -0.147665D+01
               241           242           243 
      1   0.983791D-01  0.230874D+00  0.283426D+00
      2   0.230874D+00 -0.821708D+00 -0.507105D+00
      3   0.283426D+00 -0.507105D+00 -0.210278D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.137434D+01  0.976087D+00  0.153378D+01  0.220974D+01 -0.557763D+01
      2   0.872008D+01 -0.242646D+00  0.374494D+01  0.148243D+01 -0.404076D+01
      3   0.971337D+00 -0.677649D+01 -0.173600D+01  0.120510D+01  0.681262D+01
                 6             7             8             9            10 
      1  -0.375668D+01  0.367575D+01  0.404779D+01  0.143615D+01 -0.387511D+01
      2   0.294802D+01 -0.369707D+01  0.320652D+01 -0.268303D+01 -0.193137D+01
      3   0.255324D+01 -0.225314D+01  0.284725D+01 -0.342477D+01 -0.208386D+01
                11            12            13            14            15 
      1  -0.244620D+01  0.728451D+00  0.113190D+01  0.431701D+01 -0.110931D+02
      2  -0.319304D+01  0.200858D+01 -0.332750D+01 -0.466429D+00  0.140856D+01
      3  -0.329431D+01  0.380765D+01  0.691781D+01  0.524153D+00  0.133996D+01
                16            17            18            19            20 
      1  -0.532161D+01  0.147460D+00 -0.175752D+01  0.398057D+01  0.400711D+01
      2  -0.600431D+01  0.366849D+01 -0.562415D+01  0.451515D+01 -0.115444D+01
      3   0.373160D+01  0.253180D+01 -0.551836D-01 -0.450357D+00 -0.427829D+01
                21            22            23            24            25 
      1   0.457795D+01 -0.351848D+00  0.161133D+01  0.533304D+01  0.522332D+01
      2   0.107182D+02 -0.504964D+00 -0.705150D+00 -0.754036D+01  0.354478D+01
      3   0.321713D+00  0.736315D+00 -0.266444D+00 -0.163414D+01  0.677701D+00
                26            27            28            29            30 
      1   0.102930D+02 -0.165633D+01 -0.476093D+01 -0.634736D+01 -0.112793D+01
      2  -0.750089D+01  0.446596D+00 -0.187545D+01 -0.183438D+01  0.499062D+01
      3  -0.187854D+01  0.408355D+00 -0.803269D+01 -0.122663D+02  0.560843D+01
                31            32            33            34            35 
      1  -0.584081D+01 -0.225188D+01 -0.107779D+02 -0.675002D+00 -0.536624D+01
      2  -0.587222D+00  0.484442D+01  0.297086D+01  0.475821D+00  0.234882D+01
      3  -0.357272D+01  0.119524D+02  0.546700D+00  0.523179D+01  0.164114D+01
                36            37            38            39            40 
      1   0.651036D+01  0.386913D+01  0.743667D+00  0.494980D+00  0.292540D+00
      2  -0.425824D+01 -0.555158D+01 -0.995611D+00  0.452694D+01 -0.110737D+01
      3  -0.151908D+01  0.515950D+01 -0.268755D+01 -0.385324D+01  0.577997D+01
                41            42            43            44            45 
      1   0.526187D+01  0.930253D+00 -0.456379D+00  0.833285D+01 -0.750341D+01
      2   0.189990D+01 -0.134932D+01 -0.253900D+01 -0.745502D+00  0.324327D+01
      3  -0.928855D+01 -0.156842D+01 -0.319435D+01 -0.174776D+01 -0.219545D+00
                46            47            48            49            50 
      1   0.278718D+01  0.170523D+01  0.426113D+01  0.402219D+01 -0.124697D+02
      2  -0.344190D+01  0.689434D+01 -0.294713D+01  0.530443D+01 -0.276149D+01
      3   0.206562D+00  0.186977D+01 -0.654216D+01  0.647109D+01  0.230471D+01
                51            52            53            54            55 
      1  -0.152090D+01  0.142765D+01  0.943960D+01  0.133485D+02 -0.495326D+01
      2  -0.805326D+00 -0.105543D+02  0.640865D+00  0.530723D+01  0.241246D+01
      3  -0.251926D+01 -0.631626D+01 -0.270865D+01  0.302309D+00 -0.509822D+01
                56            57            58            59            60 
      1   0.595714D+01 -0.202460D+01  0.443338D+01 -0.557395D+01 -0.573544D+01
      2   0.862796D+00 -0.361425D+01  0.836869D+00 -0.668541D+01 -0.207611D+01
      3   0.334801D+01  0.498459D+01  0.651246D+01  0.125109D+01  0.140476D+01
                61            62            63            64            65 
      1  -0.285120D+00  0.492450D+01  0.105656D+02  0.662494D+01 -0.144663D+01
      2  -0.749640D+01  0.113547D+00  0.734583D+01 -0.201651D+01  0.452285D+01
      3   0.341973D+01  0.174704D+00  0.255332D+01 -0.187279D+01 -0.903801D+01
                66            67            68            69            70 
      1   0.346575D+01 -0.258789D+01 -0.649234D+01  0.745936D+01  0.302065D+01
      2   0.762879D+01  0.264108D+01  0.181974D+01 -0.378492D+01  0.244254D+01
      3  -0.125553D+02 -0.183779D+01  0.160248D+01  0.822505D+00 -0.101975D+02
                71            72            73            74            75 
      1   0.145314D+02 -0.239787D+01 -0.460651D-01 -0.705066D+00 -0.437725D+01
      2  -0.517869D+01  0.746864D+00  0.348298D+01  0.384306D+00  0.133467D+02
      3  -0.150253D+00  0.109670D+00 -0.314433D+01 -0.143139D+02  0.121883D+00
                76            77            78            79            80 
      1  -0.266169D+01  0.236877D+01 -0.170251D+01  0.835047D+00 -0.938355D+00
      2  -0.918554D+00  0.268841D+01  0.345563D+01  0.436354D+01  0.678368D+00
      3  -0.356342D+01 -0.746915D+01  0.171250D+00  0.230173D+00  0.671571D+00
                81            82            83            84            85 
      1  -0.476911D+01 -0.218252D+01  0.476671D-01 -0.164401D+01 -0.901333D-02
      2  -0.151745D+01 -0.114505D+02 -0.642711D+00 -0.474827D+01 -0.194351D+01
      3  -0.249689D+01  0.562996D+01  0.350161D+01  0.300126D+01  0.111675D+02
                86            87            88            89            90 
      1   0.841365D+00 -0.453218D+01 -0.350525D+01 -0.398535D+00  0.288558D+01
      2   0.556022D+01 -0.796898D+01 -0.119802D+02 -0.706142D+01  0.805842D+01
      3  -0.142798D+02 -0.578973D+01  0.431785D+01 -0.557591D+01  0.944413D+01
                91            92            93            94            95 
      1  -0.844134D+01 -0.381993D+01 -0.364513D+01 -0.571908D+01  0.150352D+02
      2  -0.100585D+02 -0.347544D+00  0.123905D+02  0.197496D+00  0.471361D+01
      3  -0.284801D+01 -0.103570D+00  0.842531D+01  0.450282D+01 -0.367777D+01
                96            97            98            99           100 
      1  -0.524224D+01 -0.370336D+01  0.287185D+01 -0.825293D+01  0.713679D+00
      2  -0.119487D+01  0.621447D+01 -0.174750D+01  0.315516D+01  0.725216D+01
      3  -0.276937D-01  0.683878D+01 -0.150562D+01  0.487985D+01  0.116710D+01
               101           102           103           104           105 
      1  -0.451803D+01 -0.228171D+01 -0.652236D+00  0.411377D+01  0.131584D+00
      2  -0.154628D+01 -0.236290D+01 -0.266413D+01  0.134810D+01  0.153278D+01
      3  -0.133810D+01 -0.795710D+00  0.643724D+00  0.369442D+00  0.338685D+00
               106           107           108           109           110 
      1  -0.175421D+01  0.487632D+01  0.361357D+01 -0.213760D+00  0.377777D+01
      2  -0.533638D+01  0.128772D+01  0.368417D+01 -0.106732D+02  0.147192D+01
      3  -0.307352D+00  0.128859D+01  0.750354D+00 -0.306451D+01 -0.183894D+01
               111           112           113           114           115 
      1  -0.200505D+00  0.119375D+01 -0.168267D+01 -0.271745D+00  0.147045D+00
      2  -0.405863D+01  0.219376D+01 -0.174176D+01  0.175873D+01 -0.524151D+01
      3  -0.163156D+01  0.133497D+01  0.116945D+00  0.483891D+00 -0.149659D+01
               116           117           118           119           120 
      1   0.172979D+01  0.587984D+00 -0.392299D+00  0.294963D+01  0.289029D+01
      2   0.152256D+01 -0.334846D+01 -0.196654D+01  0.221987D+01  0.237035D-01
      3  -0.493567D+00 -0.135336D+01 -0.485479D+01  0.597732D+01 -0.168938D+01
               121           122           123           124           125 
      1   0.186457D+01 -0.551838D+01 -0.424748D+01  0.100764D+01 -0.537347D-01
      2   0.209069D+01 -0.335058D+01  0.432390D+00 -0.141235D+01  0.931124D+00
      3   0.741456D+01 -0.983581D+01  0.142215D+01 -0.947535D+00  0.706948D+00
               126           127           128           129           130 
      1  -0.713204D+00  0.270003D+01 -0.850402D+00 -0.456299D+01  0.163522D-01
      2  -0.231130D+00  0.634601D+01  0.134321D+01  0.175046D+01  0.725386D+00
      3  -0.185810D+01  0.146666D+02  0.124357D+01 -0.356674D+01  0.243620D+01
               131           132           133           134           135 
      1   0.427021D+00 -0.726303D+00 -0.273800D+01  0.134164D+01  0.178354D+01
      2   0.698634D+00  0.161337D+00 -0.198011D+01 -0.383243D+00 -0.157804D+00
      3   0.100624D+01 -0.943537D+00 -0.392854D+01 -0.678444D+00  0.301962D+01
               136           137           138           139           140 
      1  -0.146237D+01  0.383695D+00  0.239297D+01  0.584893D+00 -0.174427D+01
      2  -0.120128D+01  0.673368D+00  0.110527D+01  0.900430D+00 -0.443213D+00
      3   0.196113D+00 -0.188823D+01  0.948763D+00  0.179430D-01 -0.149363D+01
               141           142           143           144           145 
      1   0.350470D+01  0.235211D+01  0.172375D+01 -0.164494D+02  0.317355D+01
      2   0.205248D+01 -0.311279D+01 -0.953014D+00 -0.961650D+01  0.326955D+01
      3   0.984549D+00  0.241896D+01  0.187398D+01 -0.236244D+01 -0.140372D+01
               146           147           148           149           150 
      1  -0.611664D+01  0.296015D+00 -0.393618D+01  0.106321D+02 -0.239546D+01
      2  -0.333627D+01  0.216417D+01 -0.370223D+01  0.512860D+01 -0.105964D+01
      3  -0.195612D+01 -0.794960D+00  0.361120D+01  0.440735D+01 -0.476638D+00
               151           152           153           154           155 
      1   0.102754D+01 -0.294480D+01  0.635670D+00 -0.203728D+01  0.124298D+01
      2   0.854108D+00 -0.162102D+01  0.625377D+00 -0.199106D+01 -0.624060D+00
      3  -0.124879D+01 -0.112795D+01  0.239782D+00  0.502253D+01 -0.539852D+00
               156           157           158           159           160 
      1  -0.338048D+01 -0.211627D+00 -0.133228D+00 -0.352491D+01 -0.195865D+01
      2   0.158800D+01 -0.139146D+01 -0.302140D+00  0.127309D+01 -0.197391D+01
      3   0.278468D+01  0.266949D+01  0.665493D+00  0.394472D+00  0.364841D+01
               161           162           163           164           165 
      1   0.275882D+00 -0.404242D+01 -0.415172D+01  0.148772D+01 -0.553698D+01
      2   0.983854D+00  0.206493D+01 -0.531925D+01 -0.102076D+01  0.265413D+00
      3  -0.710587D+00  0.141006D+01  0.106767D+02 -0.254760D+00  0.623922D+01
               166           167           168           169           170 
      1   0.171718D+00 -0.346320D+00 -0.133525D+01 -0.419511D+01 -0.443437D-01
      2  -0.490939D+00 -0.950202D+00  0.168776D-01 -0.344537D+01 -0.539668D-01
      3   0.136137D+01  0.157971D+01  0.571380D+00  0.635856D+01  0.240036D+00
               171           172           173           174           175 
      1  -0.503690D+01  0.130637D+01  0.190171D+01 -0.125395D+01  0.180529D+01
      2  -0.290084D-01 -0.555024D+00 -0.158188D+01  0.112861D+01 -0.656909D+00
      3   0.451505D+01  0.920325D+00  0.849946D+00 -0.321209D-01  0.360703D+01
               176           177           178           179           180 
      1   0.107560D+02 -0.927901D+01 -0.105738D+01 -0.829128D+01  0.109260D+02
      2  -0.264381D+01  0.204150D+01 -0.365296D+00  0.248692D+01 -0.323174D+01
      3  -0.196948D+01  0.776642D+00 -0.235482D+01  0.153003D+01 -0.971663D+00
               181           182           183           184           185 
      1  -0.252076D+01 -0.156678D+01  0.378561D+01  0.211269D+00  0.380076D+00
      2   0.699932D+01 -0.276637D+01 -0.260773D+01 -0.213346D+01  0.210012D+01
      3  -0.957138D+01  0.306939D+01  0.544181D+01  0.423979D+01 -0.319341D+01
               186           187           188           189           190 
      1  -0.273002D+01  0.181324D+01 -0.279806D+00 -0.397043D+01 -0.121537D+01
      2   0.140239D+01 -0.507754D+01  0.232315D+01  0.283330D+01 -0.310678D+01
      3  -0.236961D+01  0.588443D+01 -0.216665D+01 -0.421742D+01 -0.301950D+01
               191           192           193           194           195 
      1  -0.378449D+00  0.547462D+00  0.248994D+00 -0.241216D+01  0.127838D+01
      2   0.663583D-01  0.291190D+01  0.912352D+00 -0.459355D+01  0.645806D+01
      3  -0.125418D+01  0.125423D+01  0.719998D+00 -0.495209D+01  0.474623D+01
               196           197           198           199           200 
      1   0.685565D+00  0.426491D+01 -0.360778D+01  0.314119D+00 -0.465817D+00
      2   0.461320D+00  0.576584D+01 -0.154251D+02  0.370013D+00  0.321870D+00
      3   0.459269D+00  0.633869D+01 -0.608256D+01  0.248795D+01 -0.330126D+01
               201           202           203           204           205 
      1   0.460579D+00 -0.602528D-01  0.142479D+01 -0.327990D+01  0.325642D+00
      2   0.159655D+01  0.637648D+00 -0.314881D+01 -0.404137D+01  0.786257D+00
      3  -0.665251D+00 -0.209699D+01  0.196064D+02  0.304235D+01 -0.760306D+00
               206           207           208           209           210 
      1   0.623944D+00 -0.673052D+00  0.168692D+01  0.835456D+00  0.824300D+00
      2  -0.184441D+01 -0.207137D+01  0.766313D+01  0.128466D+01  0.800985D+01
      3   0.313794D+01  0.166187D+01 -0.639118D+01 -0.561201D+01 -0.249221D+01
               211           212           213           214           215 
      1   0.576256D+00  0.676058D+00 -0.296936D+00  0.178674D+01  0.159456D+01
      2   0.189877D+01  0.104221D+01  0.343438D+01  0.522217D+01  0.180455D+01
      3  -0.355538D+01 -0.192966D+01 -0.126677D+01 -0.359594D+01 -0.355515D+01
               216           217           218           219           220 
      1   0.819541D+00  0.445529D+01 -0.393253D+01 -0.216155D+01 -0.231838D+01
      2   0.737340D+01  0.150389D+02 -0.977996D+00 -0.469845D+01 -0.118323D+01
      3  -0.314391D+01  0.801278D+01 -0.187211D+01 -0.324148D+01  0.304247D+00
               221           222           223           224           225 
      1   0.118778D+01 -0.170090D+00 -0.186633D+01  0.166046D+01  0.284100D+01
      2   0.274723D+01 -0.604555D+00 -0.725511D+01 -0.594524D+00  0.444296D+01
      3   0.162085D+01 -0.795669D+00 -0.322671D+01  0.125493D+00  0.221149D+01
               226           227           228           229           230 
      1   0.466916D+01  0.389604D+01  0.492318D+01  0.270859D+01  0.182043D+01
      2  -0.487166D+01 -0.877311D+00 -0.589754D+00 -0.207580D+01 -0.862317D+00
      3  -0.387248D+01 -0.310169D+01 -0.360827D+01 -0.128904D+01 -0.151768D+01
               231           232           233           234           235 
      1   0.272811D+01  0.407411D+01  0.396423D+01  0.767701D+01 -0.140248D+01
      2   0.681143D+00 -0.534623D+01  0.487333D-01  0.588647D-02 -0.181546D+00
      3  -0.158537D+01 -0.345975D+01 -0.178597D+01 -0.402151D+01  0.789636D-01
               236           237           238           239           240 
      1   0.268192D+01  0.101462D+01  0.300007D+01 -0.172794D+02 -0.351755D+01
      2   0.172403D+01  0.498041D+00  0.286594D+01 -0.189558D+01 -0.160275D+01
      3  -0.742236D+00 -0.364041D+00  0.324753D+01  0.656411D+01 -0.746225D+00
               241           242           243 
      1   0.625730D+00 -0.172848D+01 -0.217125D+01
      2  -0.532906D+00 -0.637362D+00 -0.101512D+01
      3   0.703642D-01  0.976905D+00  0.220575D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.928294D+01  0.306467D+01  0.122609D+02  0.417266D+01  0.743266D+01
      2  -0.616812D+00 -0.203831D+01 -0.804236D+01 -0.343880D+01 -0.212378D+01
      3   0.989975D+01 -0.102637D+01 -0.421856D+01 -0.733861D+00 -0.530887D+01
      4  -0.160303D+00  0.353605D+01 -0.467231D+01  0.526039D+01 -0.109299D+02
      5   0.106310D+02 -0.105754D+01  0.650540D+01  0.346602D+00  0.341256D+00
      6  -0.704929D+01  0.219344D+01 -0.130572D+01  0.249712D+01 -0.469598D+01
                 6             7             8             9            10 
      1  -0.411322D+01  0.156813D+02 -0.273812D+01  0.866045D+01  0.532484D+00
      2  -0.308081D+01 -0.862565D+01 -0.130629D+01 -0.424563D+01 -0.173579D-01
      3   0.719403D+01 -0.705563D+01  0.404441D+01 -0.441482D+01 -0.515126D+00
      4  -0.622838D+00 -0.423506D+01 -0.407565D+00  0.160332D+01  0.558895D+01
      5   0.548177D+01  0.769542D+01  0.465849D+01 -0.194398D+01 -0.126472D+01
      6  -0.346065D+01 -0.150481D+01 -0.402553D+01  0.276696D+01  0.680802D+01
                11            12            13            14            15 
      1   0.507490D+01  0.721609D+00  0.657312D+01  0.306599D+00 -0.110599D+02
      2  -0.199803D+01  0.324830D+01 -0.139130D+00  0.590086D+01 -0.334098D+01
      3  -0.307687D+01 -0.396991D+01 -0.643399D+01 -0.620746D+01  0.144009D+02
      4   0.315625D+01  0.332121D+01  0.221675D+00  0.979569D+00 -0.137300D+01
      5  -0.151761D+01  0.352527D+01 -0.185458D+01 -0.201028D+01 -0.324540D+01
      6  -0.134154D+01  0.364560D+00 -0.570930D+00  0.263273D+01 -0.418381D+01
                16            17            18            19            20 
      1  -0.119674D+02 -0.660275D+01 -0.132844D+01  0.572180D+01 -0.281817D+01
      2   0.426785D+01 -0.321108D+01  0.653628D+00  0.104550D+02 -0.990106D+01
      3   0.769951D+01  0.981382D+01  0.674810D+00 -0.161768D+02  0.127192D+02
      4   0.551818D+01 -0.372042D+01  0.237729D+01  0.396306D+01 -0.277353D+01
      5   0.193116D+01 -0.236202D+00  0.100975D+00 -0.888266D+01  0.304074D+01
      6   0.143036D+00 -0.107517D+00  0.980445D+01  0.396246D+01 -0.104337D+01
                21            22            23            24            25 
      1  -0.761458D+01 -0.943760D+01 -0.614961D+01  0.125262D+02 -0.134815D+01
      2  -0.403956D+01 -0.699981D+01 -0.566370D+01  0.108702D+01 -0.537544D+01
      3   0.116541D+02  0.164374D+02  0.118133D+02 -0.136132D+02  0.672360D+01
      4   0.295447D+01 -0.220259D+01 -0.286214D+01 -0.169868D+01  0.109453D+01
      5  -0.185542D+02  0.442094D+01  0.248403D+01  0.104514D+02 -0.126008D+02
      6   0.961806D+01 -0.238024D+01 -0.466356D+01  0.695575D+01  0.701644D+01
                26            27            28            29            30 
      1   0.656750D+01  0.209959D+01 -0.453832D+01 -0.146281D+02  0.524675D+01
      2   0.131556D+00  0.982630D+01 -0.538344D+01  0.232342D+02  0.651517D+00
      3  -0.669905D+01 -0.119259D+02  0.992175D+01 -0.860618D+01 -0.589827D+01
      4  -0.185720D+01  0.316882D+01 -0.164134D+02 -0.103808D+02  0.109366D+02
      5   0.724099D+01  0.273825D+01  0.106885D+02  0.707133D+01 -0.313577D+01
      6   0.476215D+01 -0.467898D+01  0.134803D+02 -0.112640D+01 -0.443282D+01
                31            32            33            34            35 
      1  -0.960827D+01  0.146580D+02 -0.185373D+00  0.461127D+01  0.133240D+01
      2   0.162956D+02 -0.205980D+02  0.811202D+01  0.979735D+00  0.720319D+01
      3  -0.668734D+01  0.593996D+01 -0.792664D+01 -0.559100D+01 -0.853559D+01
      4  -0.301454D+01  0.113328D+02  0.142792D+01  0.949098D+01  0.348200D+01
      5   0.282284D+01 -0.347430D+01  0.155418D+00 -0.363475D+01  0.467850D+00
      6  -0.176069D+01  0.817287D+01  0.139788D+01 -0.281240D+01  0.339811D+01
                36            37            38            39            40 
      1  -0.768655D+01  0.838435D+00  0.440088D+01  0.199011D+00  0.249568D+01
      2   0.628719D+01  0.158242D+01 -0.874146D+01 -0.315713D+01 -0.521671D+01
      3   0.139936D+01 -0.242085D+01  0.434058D+01  0.295812D+01  0.272104D+01
      4   0.287255D+01  0.177685D+01 -0.668325D+01 -0.102514D+02 -0.582300D+01
      5  -0.181855D+01 -0.397609D+01 -0.756809D+01 -0.862453D+01 -0.413177D+01
      6  -0.101723D+02 -0.115222D+02 -0.102709D+02 -0.364709D+01 -0.734681D+01
                41            42            43            44            45 
      1  -0.806487D+01 -0.150291D-01 -0.261789D+01 -0.114984D+01  0.259715D+01
      2   0.114330D+02 -0.333895D+00 -0.674170D-01 -0.885887D+00 -0.772538D+01
      3  -0.336815D+01  0.348924D+00  0.268531D+01  0.203572D+01  0.512823D+01
      4  -0.232233D+01 -0.450670D+01 -0.848497D+01 -0.484558D+01 -0.103331D+02
      5  -0.489741D+01 -0.659363D+01 -0.711721D+01 -0.827998D+01 -0.454975D+01
      6   0.110010D+01 -0.763095D+01 -0.570159D+01 -0.108349D+02  0.282460D+01
                46            47            48            49            50 
      1  -0.529763D+02 -0.707614D+01  0.314468D+01 -0.179946D+02  0.331595D+00
      2   0.247811D+02 -0.103329D+01 -0.308466D+01  0.878859D+01 -0.311379D+01
      3   0.281952D+02  0.810943D+01 -0.600208D-01  0.920602D+01  0.278220D+01
      4  -0.132216D+02 -0.877982D+01  0.196140D+01  0.119326D-01 -0.401242D+01
      5   0.567854D+01  0.428829D+01 -0.771041D+01  0.274267D+01  0.755297D+00
      6   0.470543D+00  0.922454D+00 -0.532430D+01  0.331946D+01 -0.470358D+01
                51            52            53            54            55 
      1   0.111715D+02  0.741783D+00  0.951495D+01 -0.119966D+01  0.245780D+01
      2  -0.933449D+00  0.162807D+01 -0.513280D+01 -0.156258D+01 -0.681361D+01
      3  -0.102381D+02 -0.236985D+01 -0.438216D+01  0.276224D+01  0.435581D+01
      4   0.199445D+01 -0.930546D+00  0.364391D+01 -0.270193D+01  0.107933D+01
      5  -0.417151D+01  0.379364D+01 -0.936566D+00 -0.141096D+00 -0.275696D+01
      6  -0.246524D+01 -0.255103D+00  0.377566D+00 -0.605299D+01  0.381876D+01
                56            57            58            59            60 
      1  -0.742722D+01 -0.665779D+01  0.139352D+01 -0.201336D+01 -0.808312D+01
      2   0.159835D+02  0.204948D+01  0.868323D+01 -0.113206D+02 -0.208770D-01
      3  -0.855631D+01  0.460831D+01 -0.100767D+02  0.133340D+02  0.810400D+01
      4  -0.119894D+02  0.644618D+00 -0.828789D+01  0.168221D+02 -0.134200D+01
      5  -0.151047D+01  0.617098D+00 -0.510798D+00  0.303112D+01 -0.546369D+00
      6   0.932608D+01  0.327609D+01  0.379140D+01  0.442249D+00  0.864790D+01
                61            62            63            64            65 
      1   0.205639D+01 -0.280365D+01  0.982095D+01  0.537422D+01 -0.542975D+01
      2  -0.482323D+01  0.765261D+01  0.146474D+02  0.398123D+01  0.253655D+01
      3   0.276684D+01 -0.484896D+01 -0.244683D+02 -0.935546D+01  0.289319D+01
      4   0.350821D+01 -0.362238D+01  0.532776D+01 -0.505857D+01 -0.872041D+01
      5   0.840777D+00  0.541772D+00  0.124682D+02 -0.852007D+01 -0.776122D+01
      6   0.862748D+00  0.552409D+01 -0.829271D+01 -0.201263D+02  0.752675D+01
                66            67            68            69            70 
      1  -0.929043D+01 -0.479450D+01 -0.242397D+01 -0.276787D+01 -0.748424D+01
      2   0.109131D+02  0.128530D+01 -0.280036D+01  0.169155D+02  0.101181D+02
      3  -0.162268D+01  0.350920D+01  0.522433D+01 -0.141477D+02 -0.263384D+01
      4  -0.181020D+02 -0.534062D+01  0.214333D+01  0.857493D+01 -0.154892D+02
      5  -0.169846D+02 -0.354238D+01  0.692437D+01  0.575334D+00 -0.140993D+02
      6  -0.167487D+00  0.720842D+01  0.143727D+02 -0.527852D+01 -0.408399D+00
                71            72            73            74            75 
      1  -0.581623D+01  0.310812D+01  0.104525D+03  0.133581D+02 -0.387275D+01
      2   0.207309D+02 -0.748683D+01 -0.507173D+02 -0.383185D+01  0.290881D+01
      3  -0.149147D+02  0.437871D+01 -0.538081D+02 -0.952625D+01  0.963938D+00
      4   0.950859D+01 -0.431754D+01  0.177352D+02  0.211299D+02 -0.192624D+01
      5  -0.772838D+00 -0.126184D+01 -0.915225D+01 -0.279438D+01  0.189118D+02
      6  -0.958019D+01 -0.580543D+01 -0.495876D+01 -0.285408D+01  0.334786D+01
                76            77            78            79            80 
      1   0.164155D+02  0.135557D+02 -0.287791D+01  0.158672D+01 -0.196309D+01
      2  -0.675814D+01 -0.139581D+01  0.151138D+01  0.182720D+01  0.100309D+01
      3  -0.965731D+01 -0.121599D+02  0.136653D+01 -0.341392D+01  0.960005D+00
      4   0.245341D+02  0.128502D+02 -0.279790D+01 -0.270621D+01 -0.189261D+01
      5  -0.445200D+01 -0.346025D+01  0.490235D+01  0.210821D+02  0.469160D+01
      6  -0.355521D+01 -0.202509D+01  0.520321D+01  0.245653D+01  0.443014D+01
                81            82            83            84            85 
      1   0.107664D+02 -0.234831D+01 -0.114440D+02 -0.235985D+02 -0.165247D+02
      2  -0.993232D+01  0.347416D+01  0.837242D+01  0.125096D+02  0.142934D+02
      3  -0.834082D+00 -0.112585D+01  0.307160D+01  0.110889D+02  0.223124D+01
      4   0.399457D+01 -0.102445D+02 -0.519229D+01  0.116105D+01 -0.955814D+01
      5  -0.444478D+01 -0.236887D+02 -0.909039D+00 -0.994065D+01 -0.352620D+01
      6  -0.815991D+00  0.409889D+01  0.802248D+00  0.860442D+00  0.165758D+01
                86            87            88            89            90 
      1  -0.417243D+00 -0.873620D+00 -0.290251D+02 -0.722923D+00 -0.127535D+02
      2  -0.969404D+01 -0.263745D+01  0.147896D+02 -0.277949D+01  0.104939D+02
      3   0.101113D+02  0.351107D+01  0.142355D+02  0.350242D+01  0.225963D+01
      4   0.255744D+02  0.691766D+01 -0.737992D+00  0.674103D+01 -0.976633D+01
      5   0.696830D+01 -0.125636D+02 -0.142197D+02 -0.113863D+02  0.887682D+01
      6  -0.529116D+01  0.120676D+01  0.491677D+00  0.150704D+01 -0.544198D+00
                91            92            93            94            95 
      1   0.102758D+02 -0.261974D+01 -0.746673D+01 -0.360486D+01  0.320111D+01
      2   0.107841D+02  0.839634D+01  0.125794D+02  0.109558D+02 -0.231295D+02
      3  -0.210599D+02 -0.577661D+01 -0.511264D+01 -0.735095D+01  0.199284D+02
      4  -0.576616D+01 -0.173432D+01  0.634254D+01 -0.233055D+01  0.139589D+02
      5  -0.270003D+01 -0.237462D+01 -0.219112D+02 -0.527549D+01 -0.272660D+01
      6   0.459794D+01 -0.256664D+01 -0.288885D+01 -0.383776D+01  0.107809D+02
                96            97            98            99           100 
      1   0.542940D+01 -0.774953D+01  0.689410D+01 -0.986313D+01 -0.253086D+00
      2   0.747508D+01  0.127434D+02  0.370550D+00  0.130874D+02 -0.907764D+01
      3  -0.129045D+02 -0.499385D+01 -0.726465D+01 -0.322425D+01  0.933073D+01
      4   0.184124D+01  0.560011D+01  0.393564D+01 -0.255249D+01 -0.119374D+01
      5  -0.975297D+01 -0.198800D+02 -0.683102D+01 -0.857704D+01 -0.100271D+02
      6   0.863377D+01 -0.139009D+01  0.985032D+01 -0.101028D+02 -0.371855D-01
               101           102           103           104           105 
      1  -0.368445D+00  0.779924D+01  0.221363D+01 -0.268682D+01 -0.759903D+01
      2   0.366762D+01  0.110804D+02  0.338461D+01 -0.165583D+01 -0.652441D+01
      3  -0.329917D+01 -0.188797D+02 -0.559825D+01  0.434265D+01  0.141234D+02
      4   0.214593D+01 -0.313766D+00  0.178246D+01 -0.100227D+01 -0.125607D+01
      5   0.199403D+01  0.143543D+02  0.279256D+01 -0.374642D+01 -0.456724D+01
      6  -0.445026D+01 -0.895957D+00 -0.255806D+01  0.523890D+01  0.589969D+01
               106           107           108           109           110 
      1   0.446062D+01 -0.246749D+01 -0.161362D+02  0.358812D+01  0.195920D+01
      2   0.736257D+01 -0.336661D+01 -0.212826D+02 -0.116691D+02  0.102599D+01
      3  -0.118232D+02  0.583410D+01  0.374188D+02  0.808099D+01 -0.298519D+01
      4  -0.347857D+00 -0.121278D+01 -0.109743D+01 -0.897005D+01  0.549201D+01
      5   0.112551D+02 -0.313812D+01 -0.135634D+02  0.217137D+02 -0.489008D+01
      6  -0.101092D+01  0.540465D+01  0.131845D+01 -0.720028D+01  0.734538D+01
               111           112           113           114           115 
      1  -0.295770D+01  0.130443D+01 -0.160553D+01  0.213206D+01 -0.183500D+01
      2  -0.102151D+02  0.967271D+00  0.141639D+01  0.183581D+00 -0.608558D+01
      3   0.131728D+02 -0.227170D+01  0.189136D+00 -0.231564D+01  0.792058D+01
      4  -0.668234D+01  0.548468D+01 -0.269215D+01  0.346119D+01 -0.400327D+01
      5   0.194477D+02 -0.416456D+01  0.424285D+01 -0.447840D+01  0.127828D+02
      6  -0.900035D+01  0.534895D+01 -0.542179D+01  0.695102D+01 -0.574358D+01
               116           117           118           119           120 
      1   0.159600D+01 -0.679206D+01 -0.274526D+01  0.115965D+02 -0.366462D+01
      2   0.287546D+00 -0.114403D+02  0.834900D+01 -0.208816D+02  0.257165D+01
      3  -0.188355D+01  0.182324D+02 -0.560374D+01  0.928510D+01  0.109297D+01
      4   0.206958D+01 -0.488722D+01 -0.575406D+01  0.111110D+02 -0.290793D+01
      5  -0.396490D+01  0.132230D+02  0.131878D+01 -0.359832D+01  0.219405D+01
      6   0.490958D+01 -0.769511D+01 -0.508602D+01  0.837062D+01 -0.516974D+01
               121           122           123           124           125 
      1   0.653611D+01 -0.297539D+02  0.601209D+01 -0.134418D+01  0.352557D+01
      2  -0.108276D+02  0.538003D+02 -0.774736D+01  0.816130D-01 -0.296242D+01
      3   0.429151D+01 -0.240464D+02  0.173527D+01  0.126257D+01 -0.563148D+00
      4   0.876681D+01 -0.742567D+01  0.589506D+00 -0.157147D+01  0.318473D+00
      5  -0.293654D+01  0.237837D+01 -0.600269D+00  0.196668D+01 -0.565793D+00
      6   0.342170D+01 -0.197941D+02  0.106858D+02 -0.238790D+01  0.974080D+01
               126           127           128           129           130 
      1  -0.477743D+01  0.178832D+02  0.229346D+01 -0.157380D+01  0.849508D+00
      2   0.477951D+01 -0.322026D+01  0.536108D+01  0.672323D+00  0.341181D+01
      3  -0.207634D-02 -0.146629D+02 -0.765454D+01  0.901474D+00 -0.426132D+01
      4  -0.218753D+01  0.293276D+02  0.184849D+02 -0.104705D+02  0.112270D+02
      5   0.103003D+01 -0.179265D+02 -0.834368D+01  0.101396D+02 -0.386280D+01
      6  -0.321688D+01 -0.129444D+02 -0.941399D+01  0.103911D+02 -0.517848D+01
               131           132           133           134           135 
      1  -0.109260D+01  0.773716D+00 -0.197840D+01  0.981548D+00  0.845913D+00
      2   0.780866D+01 -0.300067D+01  0.181320D+01 -0.256363D+01 -0.299194D+01
      3  -0.671606D+01  0.222695D+01  0.165191D+00  0.158208D+01  0.214603D+01
      4   0.917021D+01 -0.432338D+01 -0.822377D+01 -0.546088D+01  0.679963D+01
      5  -0.424053D+01  0.257233D+01  0.983796D+01  0.436064D+01 -0.683244D+01
      6  -0.716359D+01  0.430747D+01  0.789857D+01  0.652014D+01 -0.662152D+01
               136           137           138           139           140 
      1  -0.843495D+00  0.112640D+01 -0.163601D+00  0.197009D+01 -0.288904D+01
      2  -0.383612D+01 -0.119240D+01  0.411941D+01 -0.267130D+01  0.596228D+00
      3   0.467962D+01  0.660041D-01 -0.395581D+01  0.701211D+00  0.229282D+01
      4  -0.118807D+01  0.394176D+01  0.351541D+01  0.124728D+01 -0.212425D+01
      5  -0.453214D+01  0.119751D+01  0.982857D+01 -0.214220D+01 -0.171384D+01
      6   0.199646D+01 -0.202292D+01 -0.262790D+01 -0.803960D+00  0.130466D+01
               141           142           143           144           145 
      1   0.116071D+00 -0.111223D+01 -0.498895D+01 -0.228619D+02  0.554877D+01
      2   0.543341D+01  0.508154D+01  0.832929D+00 -0.215329D+02  0.532511D+01
      3  -0.554949D+01 -0.396932D+01  0.415602D+01  0.443949D+02 -0.108739D+02
      4  -0.118482D+01  0.376303D+01 -0.292478D+01 -0.653981D+01 -0.160752D+02
      5   0.300958D+01  0.926716D+01 -0.307295D+01 -0.199880D+02 -0.395622D+01
      6   0.434897D+01 -0.389765D+01  0.863499D+01  0.202386D+02  0.363912D+01
               146           147           148           149           150 
      1   0.419971D+00  0.159495D+01 -0.202475D+00 -0.123395D+02 -0.172534D+01
      2  -0.109569D+02 -0.124062D+01 -0.101450D+02  0.336169D+02  0.141221D+01
      3   0.105369D+02 -0.354336D+00  0.103475D+02 -0.212773D+02  0.313128D+00
      4   0.203490D+02  0.302637D+01  0.172153D+02 -0.277377D+02 -0.277348D+01
      5   0.544341D+01  0.387708D+01  0.429439D+01 -0.434468D+01 -0.321277D+01
      6  -0.658666D+01 -0.403220D+01 -0.562807D+01  0.118292D+02  0.650872D+01
               151           152           153           154           155 
      1   0.230868D+01 -0.172172D+00 -0.330096D+01  0.547193D+01 -0.727030D+00
      2   0.774086D+00 -0.530633D+01  0.158965D+01 -0.666994D+00  0.539578D+01
      3  -0.308277D+01  0.547850D+01  0.171131D+01 -0.480494D+01 -0.466875D+01
      4  -0.350661D+01  0.413018D+01 -0.385205D+01  0.153206D+02  0.143767D+02
      5   0.131488D+01 -0.246582D+01 -0.115152D+01  0.132539D+02  0.809512D+01
      6  -0.215412D+01  0.444353D+01  0.181487D+01  0.105781D+02  0.926551D+01
               156           157           158           159           160 
      1   0.927389D+00 -0.149414D+01 -0.527594D+01 -0.363326D+01  0.620131D+00
      2  -0.113037D+01  0.522804D+01  0.108168D+02  0.437192D+01 -0.145805D+01
      3   0.202977D+00 -0.373389D+01 -0.554082D+01 -0.738665D+00  0.837924D+00
      4   0.102891D+02  0.113843D+02  0.122147D+02  0.730628D+01  0.930328D+01
      5   0.116292D+02  0.553073D+01  0.719450D+01  0.548284D+01  0.112969D+02
      6   0.940490D+01  0.732299D+01  0.114608D+02  0.117291D+02  0.910152D+01
               161           162           163           164           165 
      1  -0.425731D+01 -0.539176D+01  0.889872D+01 -0.195261D+01  0.129736D+01
      2   0.360453D+01 -0.250497D+00 -0.897830D+01  0.496559D+01 -0.761858D+01
      3   0.652784D+00  0.564225D+01  0.795831D-01 -0.301298D+01  0.632122D+01
      4   0.849793D+01  0.101605D+02  0.200840D+02  0.120743D+02  0.136885D+02
      5   0.759761D+01  0.126317D+02  0.207175D+02  0.739024D+01  0.177201D+02
      6   0.139083D+02  0.156042D+02  0.138229D+02  0.889724D+01  0.129477D+02
               166           167           168           169           170 
      1  -0.962538D+00 -0.452017D+00 -0.966605D+00  0.198657D+01 -0.236584D+01
      2   0.329377D+01  0.199056D+01  0.151101D+01 -0.715942D+01  0.360039D+00
      3  -0.233123D+01 -0.153854D+01 -0.544409D+00  0.517286D+01  0.200580D+01
      4   0.605722D+01  0.461344D+01  0.288521D+01  0.118703D+02  0.508396D+01
      5   0.178668D+01  0.340137D+01  0.107955D+01  0.151655D+02  0.477009D+01
      6   0.369133D+01  0.251621D+01  0.499626D+01  0.968522D+01  0.992384D+01
               171           172           173           174           175 
      1  -0.384662D+01 -0.595708D+00  0.190463D-01  0.449286D+00 -0.367001D+00
      2  -0.621529D+01  0.317857D+01  0.423951D+01 -0.251121D+01  0.452454D+01
      3   0.100619D+02 -0.258286D+01 -0.425856D+01  0.206193D+01 -0.415754D+01
      4   0.972683D+01  0.433527D+01  0.832187D+01 -0.119968D+01  0.752418D+01
      5   0.145829D+02  0.413048D+00  0.449020D+00  0.352121D+01  0.387331D+00
      6   0.139927D+02  0.417581D+00 -0.139806D+01  0.160695D+01 -0.143430D+01
               176           177           178           179           180 
      1  -0.136417D+02  0.410619D+01  0.331404D+00  0.925531D+01 -0.365290D+01
      2   0.341511D+02 -0.130290D+02 -0.374708D+01 -0.234779D+02  0.968159D+01
      3  -0.205093D+02  0.892285D+01  0.341567D+01  0.142226D+02 -0.602870D+01
      4   0.921726D+01 -0.389451D+01 -0.444868D+01 -0.767260D+01  0.355793D+01
      5  -0.233243D+01  0.165285D+01  0.231472D+01  0.221586D+01 -0.274611D+01
      6  -0.617105D+01  0.915523D+01  0.123320D+01  0.824346D+01 -0.120902D+02
               181           182           183           184           185 
      1  -0.289754D+01  0.939265D+01  0.890599D+01  0.448207D+01 -0.813181D+01
      2   0.403508D+00 -0.102852D+02 -0.200295D+01 -0.508077D+01  0.100539D+02
      3   0.249403D+01  0.892575D+00 -0.690304D+01  0.598701D+00 -0.192212D+01
      4  -0.135996D+02  0.872729D+01  0.960709D+01  0.627453D+01 -0.650468D+01
      5  -0.947730D+01  0.544446D+01  0.861564D+01  0.290992D+01 -0.438054D+01
      6   0.111352D+02 -0.130307D+02 -0.134021D+02 -0.669246D+01  0.915161D+01
               186           187           188           189           190 
      1  -0.578041D+01  0.546906D+01 -0.836478D+01 -0.115129D+02  0.453235D+01
      2   0.351934D+01 -0.122100D+01  0.435061D+01  0.854772D+00 -0.438551D+01
      3   0.226106D+01 -0.424806D+01  0.401416D+01  0.106581D+02 -0.146841D+00
      4  -0.483939D+01  0.882921D+01 -0.524554D+01 -0.589463D+01  0.344918D+01
      5  -0.240504D+01  0.800939D+01 -0.289629D+01 -0.570721D+01 -0.517834D+01
      6   0.100976D+02 -0.775448D+01  0.141195D+02  0.169033D+02 -0.104156D+01
               191           192           193           194           195 
      1   0.470277D+01 -0.447910D+01  0.103614D+02 -0.101855D+01 -0.114557D+01
      2  -0.318603D+01  0.447683D+01 -0.693260D+01  0.146032D+01  0.290282D+01
      3  -0.151674D+01  0.226681D-02 -0.342884D+01 -0.441770D+00 -0.175725D+01
      4   0.277576D+01 -0.192451D+01  0.330481D+01  0.358187D+01 -0.580648D+01
      5  -0.299836D+01  0.101743D+02 -0.445549D+01 -0.548376D+01  0.934874D+01
      6  -0.412641D+00 -0.123412D+00 -0.113109D+00 -0.190873D+01  0.209807D+01
               196           197           198           199           200 
      1  -0.106654D+02  0.290386D+00  0.399978D+01  0.616768D+01 -0.488633D+01
      2   0.801706D+01  0.230700D+01 -0.120563D+02 -0.349756D+00  0.869977D-01
      3   0.264834D+01 -0.259738D+01  0.805648D+01 -0.581793D+01  0.479933D+01
      4  -0.721023D+00 -0.764026D+01  0.636220D+01 -0.740687D+01  0.109429D+02
      5   0.146724D+02  0.727377D+01 -0.249041D+02  0.220647D+00  0.241215D+01
      6  -0.102928D+01  0.315698D+01  0.629490D+00  0.125179D+01 -0.124255D+01
               201           202           203           204           205 
      1   0.940241D+00 -0.103038D+02 -0.261455D+01  0.403535D+00  0.139290D+01
      2  -0.732835D+00 -0.127484D+01  0.200813D+02  0.160173D+01 -0.107055D+01
      3  -0.207406D+00  0.115786D+02 -0.174668D+02 -0.200527D+01 -0.322348D+00
      4   0.214739D+01  0.202221D+02 -0.371379D+02 -0.571278D+01  0.285596D+01
      5   0.311105D+01  0.396386D+01 -0.519495D+01 -0.582772D+01  0.523442D+01
      6  -0.886514D+00 -0.242331D+01  0.705484D+01  0.635375D+01 -0.211656D+01
               206           207           208           209           210 
      1  -0.169568D+00  0.657369D+00  0.488744D+02  0.604733D+01  0.158165D+02
      2   0.169348D+01  0.436858D+00 -0.265276D+02 -0.367945D+01 -0.943270D+01
      3  -0.152391D+01 -0.109423D+01 -0.223468D+02 -0.236787D+01 -0.638381D+01
      4  -0.512218D+01 -0.388954D+01  0.273727D+01  0.778824D+01  0.996855D+00
      5  -0.407129D+01 -0.355502D+01  0.184949D+02  0.210664D+01  0.136547D+02
      6   0.570379D+01  0.229962D+01 -0.172689D+01  0.554111D+00 -0.123670D+01
               211           212           213           214           215 
      1   0.142951D+02  0.563128D+01  0.350550D+01  0.284195D+02  0.218160D+01
      2  -0.823752D+01 -0.146508D+01 -0.197814D+01 -0.165625D+02 -0.131810D+01
      3  -0.605760D+01 -0.416620D+01 -0.152736D+01 -0.118570D+02 -0.863498D+00
      4   0.948903D+01  0.222313D+01  0.303296D+01  0.630095D+00  0.537704D+01
      5   0.518407D+01  0.296978D+01  0.579327D+01  0.187843D+02  0.331808D+01
      6   0.973549D+00  0.142370D+01  0.150594D+01 -0.112390D+01  0.168997D+01
               216           217           218           219           220 
      1   0.116829D+02 -0.476139D+01 -0.405302D+01  0.109632D+02 -0.108920D+01
      2  -0.101795D+02 -0.435619D+01  0.111522D+01  0.387767D+01 -0.463906D+00
      3  -0.150336D+01  0.911759D+01  0.293780D+01 -0.148409D+02  0.155311D+01
      4   0.245730D+01  0.919123D+01  0.227541D+01 -0.482103D+01  0.230967D+01
      5   0.150645D+02 -0.160206D+02  0.173313D+00  0.972182D+01  0.880858D+00
      6  -0.115520D+01 -0.305458D+01 -0.737990D+01  0.864870D+01 -0.393905D+01
               221           222           223           224           225 
      1  -0.205434D+01  0.439625D+00  0.671367D+01  0.132484D+01 -0.841625D+01
      2   0.339470D+01 -0.224674D+01  0.217572D+01 -0.741136D+00 -0.728497D+01
      3  -0.134035D+01  0.180711D+01 -0.888939D+01 -0.583705D+00  0.157012D+02
      4  -0.236722D+00 -0.953518D+00 -0.435503D+01 -0.134287D+01  0.367553D+01
      5  -0.280379D+01  0.236502D+01  0.101165D+02  0.155229D+01 -0.587487D+01
      6  -0.898484D+00  0.205248D+01  0.403105D+01  0.313634D+01 -0.521598D+01
               226           227           228           229           230 
      1   0.795192D+01  0.192903D+01  0.970298D+00  0.299254D+01 -0.290188D+00
      2  -0.163162D+02 -0.318751D+01 -0.169131D+02 -0.635696D+01 -0.567940D+00
      3   0.836429D+01  0.125849D+01  0.159428D+02  0.336442D+01  0.858128D+00
      4  -0.374611D+01  0.396333D+01 -0.432225D+01  0.222308D+01  0.373580D+00
      5   0.223118D+02  0.830892D+00  0.242989D+02  0.715349D+01  0.459203D+01
      6  -0.201459D+01  0.556235D+01 -0.371679D+01  0.358189D+01  0.184882D+01
               231           232           233           234           235 
      1  -0.168646D+01  0.147235D+01  0.479191D-01 -0.673143D+01 -0.120824D+00
      2  -0.789822D+01 -0.136338D+02 -0.238006D+01 -0.229999D+02  0.197805D+01
      3   0.958469D+01  0.121615D+02  0.233215D+01  0.297313D+02 -0.185723D+01
      4   0.192356D+01 -0.368970D+01  0.213953D+01 -0.270124D+01 -0.477121D+01
      5   0.822667D+01  0.197818D+02  0.149289D+01  0.253250D+02  0.237336D+01
      6   0.354568D+01 -0.214994D+01  0.482510D+01 -0.431586D+01 -0.331602D+01
               236           237           238           239           240 
      1  -0.595772D+00 -0.223310D+00 -0.351042D+00 -0.176590D+02  0.505790D+01
      2  -0.414702D+01 -0.137464D+01 -0.521029D+01  0.379227D+02 -0.158710D+01
      3   0.474280D+01  0.159795D+01  0.556133D+01 -0.202637D+02 -0.347079D+01
      4   0.884782D+01 -0.174026D+01  0.997669D+01 -0.190484D+02  0.288655D+01
      5  -0.335529D+01  0.453865D+01 -0.436212D+01  0.552651D+01 -0.313223D+01
      6   0.437439D+01 -0.160839D+01  0.516399D+01 -0.253347D+02  0.102632D+02
               241           242           243 
      1  -0.562107D+00  0.231636D+00 -0.100361D+01
      2  -0.166719D+01  0.406477D+01  0.183212D+01
      3   0.222930D+01 -0.429641D+01 -0.828507D+00
      4   0.987544D+00 -0.196022D+01 -0.136340D+01
      5   0.236820D+01 -0.544916D+00  0.774214D+00
      6  -0.460306D+00  0.352425D+01 -0.162669D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 20:28:41 2021, MaxMem= 17179869184 cpu:           16932.3 elap:            1414.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25412 -10.38409 -10.31881 -10.31239 -10.30981
 Alpha  occ. eigenvalues --  -10.30515 -10.30214 -10.30104 -10.29238 -10.29226
 Alpha  occ. eigenvalues --  -10.28723  -1.13621  -0.99018  -0.86869  -0.86203
 Alpha  occ. eigenvalues --   -0.83536  -0.77860  -0.76212  -0.73557  -0.67797
 Alpha  occ. eigenvalues --   -0.63406  -0.59288  -0.58073  -0.57825  -0.56047
 Alpha  occ. eigenvalues --   -0.53718  -0.51455  -0.50357  -0.49620  -0.48954
 Alpha  occ. eigenvalues --   -0.48461  -0.47455  -0.46968  -0.46114  -0.44811
 Alpha  occ. eigenvalues --   -0.43255  -0.42964  -0.41948  -0.40723  -0.39759
 Alpha  occ. eigenvalues --   -0.38066  -0.32127
 Alpha virt. eigenvalues --    0.05365   0.07953   0.09908   0.10258   0.10463
 Alpha virt. eigenvalues --    0.12886   0.13253   0.13470   0.13916   0.14267
 Alpha virt. eigenvalues --    0.16509   0.17006   0.17252   0.17838   0.18147
 Alpha virt. eigenvalues --    0.18206   0.19544   0.20100   0.20400   0.21475
 Alpha virt. eigenvalues --    0.22067   0.22901   0.23333   0.23972   0.24127
 Alpha virt. eigenvalues --    0.24923   0.25436   0.26366   0.27308   0.27519
 Alpha virt. eigenvalues --    0.27896   0.28636   0.29520   0.30184   0.31473
 Alpha virt. eigenvalues --    0.31561   0.32629   0.32942   0.34301   0.34643
 Alpha virt. eigenvalues --    0.35497   0.35602   0.35965   0.36793   0.37555
 Alpha virt. eigenvalues --    0.37927   0.38118   0.38661   0.38868   0.39492
 Alpha virt. eigenvalues --    0.39633   0.40072   0.40271   0.41172   0.41542
 Alpha virt. eigenvalues --    0.42172   0.42812   0.43083   0.43531   0.43828
 Alpha virt. eigenvalues --    0.44666   0.44720   0.44821   0.45095   0.45960
 Alpha virt. eigenvalues --    0.46350   0.46753   0.46838   0.47257   0.47500
 Alpha virt. eigenvalues --    0.48031   0.48438   0.49064   0.49984   0.50333
 Alpha virt. eigenvalues --    0.51266   0.51371   0.51664   0.52536   0.52846
 Alpha virt. eigenvalues --    0.53454   0.53860   0.55441   0.55553   0.56558
 Alpha virt. eigenvalues --    0.57086   0.57233   0.57855   0.58411   0.59253
 Alpha virt. eigenvalues --    0.59456   0.59969   0.60218   0.60496   0.61221
 Alpha virt. eigenvalues --    0.61916   0.62325   0.62531   0.62931   0.63653
 Alpha virt. eigenvalues --    0.63960   0.64203   0.64889   0.65078   0.66632
 Alpha virt. eigenvalues --    0.66745   0.67309   0.67789   0.68558   0.68772
 Alpha virt. eigenvalues --    0.69108   0.70373   0.70816   0.71033   0.71779
 Alpha virt. eigenvalues --    0.72439   0.72940   0.73854   0.75042   0.75808
 Alpha virt. eigenvalues --    0.76264   0.76448   0.76952   0.77854   0.78510
 Alpha virt. eigenvalues --    0.78840   0.80662   0.81746   0.82991   0.83166
 Alpha virt. eigenvalues --    0.83854   0.85659   0.86201   0.86899   0.87898
 Alpha virt. eigenvalues --    0.88189   0.89270   0.91152   0.91957   0.92485
 Alpha virt. eigenvalues --    0.93511   0.94302   0.95145   0.96781   0.97824
 Alpha virt. eigenvalues --    0.99115   1.01369   1.02075   1.04944   1.05215
 Alpha virt. eigenvalues --    1.06035   1.07330   1.08106   1.08479   1.09388
 Alpha virt. eigenvalues --    1.10003   1.10434   1.11018   1.11795   1.11911
 Alpha virt. eigenvalues --    1.12914   1.13582   1.15189   1.16191   1.16607
 Alpha virt. eigenvalues --    1.18083   1.18361   1.19890   1.20457   1.23154
 Alpha virt. eigenvalues --    1.24612   1.25008   1.27865   1.29679   1.30625
 Alpha virt. eigenvalues --    1.34120   1.36341   1.37033   1.38017   1.38774
 Alpha virt. eigenvalues --    1.40589   1.41487   1.43500   1.44679   1.45274
 Alpha virt. eigenvalues --    1.46639   1.47852   1.49700   1.51964   1.55215
 Alpha virt. eigenvalues --    1.55777   1.56468   1.59073   1.59989   1.60661
 Alpha virt. eigenvalues --    1.63069   1.64775   1.67210   1.67656   1.69477
 Alpha virt. eigenvalues --    1.72108   1.74548   1.75685   1.77019   1.78665
 Alpha virt. eigenvalues --    1.80834   1.81237   1.83539   1.85368   1.86010
 Alpha virt. eigenvalues --    1.87808   1.88703   1.89849   1.90687   1.91771
 Alpha virt. eigenvalues --    1.93582   1.94599   1.96703   1.97916   1.98245
 Alpha virt. eigenvalues --    1.99380   1.99981   2.01691   2.02575   2.03197
 Alpha virt. eigenvalues --    2.04486   2.05321   2.06346   2.08615   2.10334
 Alpha virt. eigenvalues --    2.10646   2.11820   2.13136   2.14279   2.15484
 Alpha virt. eigenvalues --    2.16536   2.17627   2.18898   2.20137   2.21520
 Alpha virt. eigenvalues --    2.21729   2.25926   2.26006   2.26553   2.28742
 Alpha virt. eigenvalues --    2.29317   2.30641   2.31283   2.34302   2.35739
 Alpha virt. eigenvalues --    2.36652   2.37679   2.39525   2.41390   2.43209
 Alpha virt. eigenvalues --    2.43264   2.46072   2.47936   2.49235   2.49792
 Alpha virt. eigenvalues --    2.50862   2.52601   2.53661   2.56960   2.57414
 Alpha virt. eigenvalues --    2.60476   2.61008   2.62040   2.66468   2.66847
 Alpha virt. eigenvalues --    2.70635   2.71528   2.72763   2.73084   2.74776
 Alpha virt. eigenvalues --    2.76519   2.78493   2.79036   2.80610   2.83451
 Alpha virt. eigenvalues --    2.84791   2.88293   2.90011   2.90995   2.93037
 Alpha virt. eigenvalues --    2.96127   3.03595   3.04619   3.05126   3.09073
 Alpha virt. eigenvalues --    3.11325   3.12273   3.15794   3.18162   3.19677
 Alpha virt. eigenvalues --    3.20771   3.22421   3.24708   3.26338   3.27451
 Alpha virt. eigenvalues --    3.30495   3.30893   3.33753   3.34956   3.35440
 Alpha virt. eigenvalues --    3.38085   3.42623   3.58040   4.00587
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   16.159541  -0.826423  -0.331565  -0.077683  -1.210999  -0.564075
     2  C   -0.826423  12.427436  -0.136607   0.136973  -0.104349  -0.761950
     3  C   -0.331565  -0.136607   5.459867   0.086609   0.043719   0.023136
     4  C   -0.077683   0.136973   0.086609   4.919746   0.112314  -0.137123
     5  C   -1.210999  -0.104349   0.043719   0.112314   6.385662   0.045015
     6  C   -0.564075  -0.761950   0.023136  -0.137123   0.045015   6.527714
     7  C   -0.082294  -0.229628  -0.079304   0.080938   0.092863   0.144982
     8  C   -0.166478  -1.406242  -0.012488  -0.025627   0.044900   0.091462
     9  O    0.048286  -0.128159  -0.000804   0.012936  -0.006105  -0.179093
    10  C   -1.439911  -0.097786  -0.013337  -0.046921   0.000396   0.117843
    11  C   -1.250929   0.060085   0.021452   0.037891   0.070254  -0.139625
    12  H   -0.034646  -0.005612   0.037287  -0.103022  -0.040963  -0.044124
    13  H    0.001398   0.057455   0.008127  -0.070838   0.055624   0.041703
    14  H    0.057521  -0.038955   0.072291   0.026231  -0.006855  -0.023401
    15  H   -0.070927  -0.024406  -0.117217   0.354724  -0.014060   0.029644
    16  H    0.053968  -0.035310  -0.020417   0.025086  -0.046661  -0.055738
    17  H   -0.000327  -0.048966   0.014744  -0.042857   0.031987   0.142129
    18  H   -0.423365  -0.121551   0.011536  -0.156037   0.147262  -0.007682
    19  H    0.014560   0.295760  -0.020966   0.001231  -0.006076   0.016341
    20  H   -0.098078   0.210591  -0.003802   0.000461   0.003387   0.028734
    21  H   -0.026607   0.186678  -0.007662   0.000092   0.000131  -0.020012
    22  H    0.024515  -0.037772  -0.025311  -0.020665  -0.028483   0.018783
    23  H    0.297383  -0.065783  -0.004277  -0.000833   0.000373  -0.002423
    24  H    0.171305  -0.002551   0.007881  -0.012970   0.044986  -0.009008
    25  H    0.162135  -0.102246   0.000689   0.002268  -0.037976  -0.001502
    26  H    0.090710  -0.014206   0.000805  -0.003541   0.056698   0.003962
    27  H    0.304322  -0.051889  -0.000141   0.000312  -0.007009   0.052421
               7          8          9         10         11         12
     1  C   -0.082294  -0.166478   0.048286  -1.439911  -1.250929  -0.034646
     2  C   -0.229628  -1.406242  -0.128159  -0.097786   0.060085  -0.005612
     3  C   -0.079304  -0.012488  -0.000804  -0.013337   0.021452   0.037287
     4  C    0.080938  -0.025627   0.012936  -0.046921   0.037891  -0.103022
     5  C    0.092863   0.044900  -0.006105   0.000396   0.070254  -0.040963
     6  C    0.144982   0.091462  -0.179093   0.117843  -0.139625  -0.044124
     7  C    5.037259  -0.005441  -0.021848   0.022200   0.002984   0.001769
     8  C   -0.005441   5.381291   0.020670   0.037192   0.003793  -0.017394
     9  O   -0.021848   0.020670   8.673685  -0.007620   0.024639   0.010547
    10  C    0.022200   0.037192  -0.007620   5.789670  -0.294304   0.013766
    11  C    0.002984   0.003793   0.024639  -0.294304   5.539796  -0.007052
    12  H    0.001769  -0.017394   0.010547   0.013766  -0.007052   1.900844
    13  H   -0.028406   0.076667   0.006215   0.009056   0.000126  -0.648644
    14  H   -0.044798   0.003537   0.007790   0.001279   0.001627   0.209325
    15  H    0.027356  -0.006845  -0.005364  -0.049699  -0.006153  -0.433667
    16  H    0.399319  -0.008684  -0.022640  -0.008544  -0.019412   0.002746
    17  H    0.027197   0.005020   0.021745   0.001524  -0.001258  -0.000566
    18  H   -0.114072   0.003990   0.009915   0.090919   0.092897   0.012506
    19  H    0.003260   0.051030  -0.009997   0.000312   0.001768  -0.031780
    20  H   -0.000480   0.126909  -0.003892   0.023656  -0.013673  -0.000717
    21  H    0.001929   0.071759   0.016293  -0.005933   0.012540   0.042099
    22  H    0.003391   0.012474  -0.001597   0.226153   0.027076   0.033190
    23  H    0.000830   0.035232   0.001535  -0.107347   0.018819  -0.004842
    24  H   -0.003883   0.000217   0.000957  -0.082939   0.037679   0.000604
    25  H   -0.001115   0.015671   0.035589   0.024113   0.233710  -0.000150
    26  H   -0.021418   0.002647  -0.000006   0.025900  -0.017517   0.000674
    27  H   -0.009253   0.013373  -0.009790   0.038355  -0.155007  -0.000168
              13         14         15         16         17         18
     1  C    0.001398   0.057521  -0.070927   0.053968  -0.000327  -0.423365
     2  C    0.057455  -0.038955  -0.024406  -0.035310  -0.048966  -0.121551
     3  C    0.008127   0.072291  -0.117217  -0.020417   0.014744   0.011536
     4  C   -0.070838   0.026231   0.354724   0.025086  -0.042857  -0.156037
     5  C    0.055624  -0.006855  -0.014060  -0.046661   0.031987   0.147262
     6  C    0.041703  -0.023401   0.029644  -0.055738   0.142129  -0.007682
     7  C   -0.028406  -0.044798   0.027356   0.399319   0.027197  -0.114072
     8  C    0.076667   0.003537  -0.006845  -0.008684   0.005020   0.003990
     9  O    0.006215   0.007790  -0.005364  -0.022640   0.021745   0.009915
    10  C    0.009056   0.001279  -0.049699  -0.008544   0.001524   0.090919
    11  C    0.000126   0.001627  -0.006153  -0.019412  -0.001258   0.092897
    12  H   -0.648644   0.209325  -0.433667   0.002746  -0.000566   0.012506
    13  H    1.821912  -0.252421   0.168884  -0.000155  -0.005227  -0.001927
    14  H   -0.252421   1.951275  -0.833818  -0.000829   0.018909   0.128790
    15  H    0.168884  -0.833818   2.277600  -0.005780   0.001018  -0.222701
    16  H   -0.000155  -0.000829  -0.005780   1.225821  -0.361592  -0.126458
    17  H   -0.005227   0.018909   0.001018  -0.361592   1.318564   0.069719
    18  H   -0.001927   0.128790  -0.222701  -0.126458   0.069719   2.242002
    19  H    0.025408  -0.000300   0.000651   0.000165   0.000287   0.000184
    20  H    0.000275  -0.000105   0.000010  -0.001323   0.000551   0.001595
    21  H   -0.012884   0.001025  -0.002353  -0.000122  -0.000080   0.001164
    22  H    0.005926  -0.000696   0.020199  -0.000202   0.001204   0.011980
    23  H    0.000835   0.001190  -0.004027  -0.000124  -0.000037   0.002109
    24  H    0.000152   0.001926   0.003986  -0.001345  -0.000433   0.038950
    25  H    0.000406   0.001358  -0.000422  -0.016093   0.004319   0.009521
    26  H    0.000082  -0.000936  -0.000433  -0.001791   0.002989   0.041319
    27  H    0.000272  -0.000199   0.000588  -0.004565   0.001348  -0.000861
              19         20         21         22         23         24
     1  C    0.014560  -0.098078  -0.026607   0.024515   0.297383   0.171305
     2  C    0.295760   0.210591   0.186678  -0.037772  -0.065783  -0.002551
     3  C   -0.020966  -0.003802  -0.007662  -0.025311  -0.004277   0.007881
     4  C    0.001231   0.000461   0.000092  -0.020665  -0.000833  -0.012970
     5  C   -0.006076   0.003387   0.000131  -0.028483   0.000373   0.044986
     6  C    0.016341   0.028734  -0.020012   0.018783  -0.002423  -0.009008
     7  C    0.003260  -0.000480   0.001929   0.003391   0.000830  -0.003883
     8  C    0.051030   0.126909   0.071759   0.012474   0.035232   0.000217
     9  O   -0.009997  -0.003892   0.016293  -0.001597   0.001535   0.000957
    10  C    0.000312   0.023656  -0.005933   0.226153  -0.107347  -0.082939
    11  C    0.001768  -0.013673   0.012540   0.027076   0.018819   0.037679
    12  H   -0.031780  -0.000717   0.042099   0.033190  -0.004842   0.000604
    13  H    0.025408   0.000275  -0.012884   0.005926   0.000835   0.000152
    14  H   -0.000300  -0.000105   0.001025  -0.000696   0.001190   0.001926
    15  H    0.000651   0.000010  -0.002353   0.020199  -0.004027   0.003986
    16  H    0.000165  -0.001323  -0.000122  -0.000202  -0.000124  -0.001345
    17  H    0.000287   0.000551  -0.000080   0.001204  -0.000037  -0.000433
    18  H    0.000184   0.001595   0.001164   0.011980   0.002109   0.038950
    19  H    0.574488  -0.017069  -0.035826   0.000323  -0.000482  -0.000246
    20  H   -0.017069   0.639481  -0.034971   0.001790  -0.003744  -0.000968
    21  H   -0.035826  -0.034971   0.632001  -0.006840   0.015762   0.001169
    22  H    0.000323   0.001790  -0.006840   0.956729  -0.083123  -0.081825
    23  H   -0.000482  -0.003744   0.015762  -0.083123   0.773602  -0.040711
    24  H   -0.000246  -0.000968   0.001169  -0.081825  -0.040711   0.760097
    25  H   -0.001589   0.001960   0.001419  -0.003213   0.003515   0.002758
    26  H   -0.000048   0.002091  -0.001116   0.006635  -0.015885   0.014801
    27  H    0.001094   0.020555  -0.002948   0.002376   0.025515  -0.017948
              25         26         27
     1  C    0.162135   0.090710   0.304322
     2  C   -0.102246  -0.014206  -0.051889
     3  C    0.000689   0.000805  -0.000141
     4  C    0.002268  -0.003541   0.000312
     5  C   -0.037976   0.056698  -0.007009
     6  C   -0.001502   0.003962   0.052421
     7  C   -0.001115  -0.021418  -0.009253
     8  C    0.015671   0.002647   0.013373
     9  O    0.035589  -0.000006  -0.009790
    10  C    0.024113   0.025900   0.038355
    11  C    0.233710  -0.017517  -0.155007
    12  H   -0.000150   0.000674  -0.000168
    13  H    0.000406   0.000082   0.000272
    14  H    0.001358  -0.000936  -0.000199
    15  H   -0.000422  -0.000433   0.000588
    16  H   -0.016093  -0.001791  -0.004565
    17  H    0.004319   0.002989   0.001348
    18  H    0.009521   0.041319  -0.000861
    19  H   -0.001589  -0.000048   0.001094
    20  H    0.001960   0.002091   0.020555
    21  H    0.001419  -0.001116  -0.002948
    22  H   -0.003213   0.006635   0.002376
    23  H    0.003515  -0.015885   0.025515
    24  H    0.002758   0.014801  -0.017948
    25  H    0.818787  -0.115947  -0.033126
    26  H   -0.115947   0.811464  -0.044177
    27  H   -0.033126  -0.044177   0.713237
 Mulliken charges:
               1
     1  C   -4.781337
     2  C   -3.134586
     3  C    0.985756
     4  C    0.900306
     5  C    0.373966
     6  C    0.661888
     7  C    0.795660
     8  C    1.651366
     9  O   -0.493885
    10  C    1.732008
    11  C    1.717795
    12  H    0.107990
    13  H   -0.260022
    14  H   -0.280761
    15  H   -0.086787
    16  H    0.030682
    17  H   -0.201911
    18  H   -0.741705
    19  H    0.137517
    20  H    0.116777
    21  H    0.173292
    22  H   -0.063019
    23  H    0.156938
    24  H    0.167360
    25  H   -0.004841
    26  H    0.176246
    27  H    0.163311
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -4.781337
     2  C   -3.134586
     3  C    0.833724
     4  C    0.532757
     5  C   -0.367739
     6  C    0.661888
     7  C    0.624431
     8  C    2.078951
     9  O   -0.493885
    10  C    1.993286
    11  C    2.052509
 Electronic spatial extent (au):  <R**2>=           1475.0489
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.1967    Y=              0.9550    Z=             -0.1548  Tot=              3.3399
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -78.7918   YY=            -67.0284   ZZ=            -66.5667
   XY=             -2.4301   XZ=              1.2011   YZ=              0.4005
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.9962   YY=              3.7673   ZZ=              4.2289
   XY=             -2.4301   XZ=              1.2011   YZ=              0.4005
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             26.5555  YYY=              0.2579  ZZZ=              2.4131  XYY=             -3.9163
  XXY=              6.6912  XXZ=             -3.9748  XZZ=             -2.8048  YZZ=              0.7781
  YYZ=              0.8291  XYZ=              0.0187
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -891.2323 YYYY=           -643.8140 ZZZZ=           -551.3604 XXXY=             -6.7062
 XXXZ=             15.8408 YYYX=             -6.1408 YYYZ=             -1.3202 ZZZX=             -4.5988
 ZZZY=              4.2922 XXYY=           -237.8831 XXZZ=           -217.5083 YYZZ=           -203.5431
 XXYZ=              1.9674 YYXZ=             -1.1038 ZZXY=              2.2461
 N-N= 6.881699629962D+02 E-N=-2.454206480653D+03  KE= 4.599116967713D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 20:28:42 2021, MaxMem= 17179869184 cpu:               2.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.19406424D+00 3.61083692D-01-5.72722282D-02
 Polarizability= 1.14673425D+02 7.41876557D-01 1.11152414D+02
                -7.58282032D-02 1.27064056D+00 1.07423950D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.1225    0.1220        0.5114    0.5095
 2     -0.1225   -0.1220       -0.6283   -0.6292       -2.3874   -2.3867
 3     -0.5114   -0.5095        4.2156    4.2174        0.6289    0.6292
 4      0.6283    0.6292        0.0000    0.0000       -0.5105   -0.5095
 5     -1.8281   -1.8307        0.5105    0.5095        0.1243    0.1220
 6     -0.6289   -0.6292       -0.1243   -0.1220       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3661   -0.3661        1.5285    1.5285
 2      1.8877    1.8877        0.0000    0.0000        1.5285    1.5285
 3      1.8877    1.8877       -0.3661   -0.3661       -0.0000    0.0000
 4     -0.3661   -0.3661       -1.8877   -1.8877       -7.1602   -7.1602
 5     -1.5285   -1.5285       12.6523   12.6523        1.8877    1.8877
 6     -5.4921   -5.4921        1.5285    1.5285        0.3661    0.3661
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2499    0.0000       -0.6797   -0.4882       -1.8792   -2.0379
 2      0.4231    0.4882        2.2967    2.5169        9.8430    9.5469
 3      2.0091    2.0379      -17.0906  -16.8697       -2.5847   -2.5169
 4     -2.4098   -2.5169       -0.1500    0.0000        2.2349    2.0379
 5      7.3787    7.3228       -2.2251   -2.0379       -0.3746   -0.4882
 6      2.4286    2.5169        0.3452    0.4882        0.1044    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.7254    0.0000        6.9748    6.7057        3.1193    2.7589
 2     -7.2434   -6.7057        2.8493    3.6874        6.5156    7.6778
 3     -2.1259   -2.7589        9.8757    9.0714       -3.3465   -3.6874
 4     -4.2358   -3.6874       -0.3856    0.0000       -3.3412   -2.7589
 5    -17.4286  -16.7492        1.5478    2.7589        5.7420    6.7057
 6      4.0036    3.6874       -6.4079   -6.7057        0.1313    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.4753   -6.9501       13.5989   12.9158       21.9132   21.7058
 2     -9.2496   -9.3848       20.8154   20.3600       21.7257   21.7058
 3     -9.2917   -9.3848       13.1631   12.9158       18.7658   19.0652
 4     -8.0628   -7.4442        1.5909    2.4346       10.7320   11.9993
 5     -1.7576   -2.6407       12.7823   12.6814       -2.0177   -2.4346
 6    -25.1031  -24.6807        1.0982    2.6407        6.6011    7.4442
 Full mass-weighted force constant matrix:
 Low frequencies ---  -15.6774   -6.3789   -0.0009   -0.0004   -0.0003    2.5755
 Low frequencies ---  107.8644  168.8419  183.4749
 Diagonal vibrational polarizability:
        4.4992302       6.3154133       7.5207719
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    107.8534               168.8412               183.4743
 Red. masses --      4.5339                 1.1763                 1.1199
 Frc consts  --      0.0311                 0.0198                 0.0222
 IR Inten    --      3.8144                 0.1064                 0.0775
 RamAct Fr= 1--      0.6621                 0.1660                 0.0620
  Dep-P Fr= 1--      0.7500                 0.6648                 0.7349
  Dep-U Fr= 1--      0.8571                 0.7986                 0.8472
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0000
 Beta2  Fr= 1--      0.0946                 0.0221                 0.0088
 AlphaG Fr= 1--      0.0000                -0.0015                 0.0009
 Gamma2 Fr= 1--      0.1373                -0.0860                 0.0772
 Delta2 Fr= 1--     -0.0193                 0.0002                 0.0086
 Raman1 Fr= 1--       2.648                  0.664                  0.248
 ROA1   Fr= 1--      12.560                 -8.253                  7.682
 CID1   Fr= 1--       4.743                -12.429                 30.988
 Raman2 Fr= 1--       1.135                  0.265                  0.105
 ROA2   Fr= 1--       3.449                 -2.066                  1.783
 CID2   Fr= 1--       3.039                 -7.790                 16.981
 Raman3 Fr= 1--       2.270                  0.530                  0.210
 ROA3   Fr= 1--      12.560                 -8.253                  7.682
 CID3   Fr= 1--       5.533                -15.562                 36.578
 RC180  Fr= 1--       0.714                  0.597                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.00     0.00  -0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.01   0.05  -0.06    -0.01  -0.01   0.02     0.00  -0.00   0.00
     3   6     0.03   0.08  -0.03    -0.03   0.02   0.03    -0.03   0.02   0.02
     4   6     0.13   0.02  -0.02     0.04  -0.02   0.02     0.02   0.00   0.01
     5   6     0.01   0.03  -0.03    -0.01  -0.01   0.02     0.00  -0.00   0.00
     6   6     0.01  -0.03   0.02    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6    -0.03   0.09  -0.12    -0.02   0.00  -0.01    -0.00  -0.00  -0.01
     8   6     0.01   0.08  -0.13     0.02  -0.00  -0.01     0.03   0.00  -0.03
     9   8     0.09  -0.25   0.28    -0.03   0.02  -0.05    -0.01   0.00  -0.02
    10   6    -0.04  -0.07   0.06    -0.01   0.01  -0.03    -0.02  -0.05  -0.01
    11   6    -0.15   0.04   0.01     0.05   0.00   0.02     0.00   0.04   0.03
    12   1    -0.03   0.06  -0.07    -0.10   0.02  -0.03    -0.07   0.03  -0.02
    13   1     0.02   0.16   0.02    -0.06   0.05   0.10    -0.05   0.05   0.06
    14   1     0.25   0.09  -0.06     0.10   0.02   0.00     0.06   0.03   0.01
    15   1     0.17  -0.11   0.02     0.06  -0.10   0.03     0.03  -0.05   0.01
    16   1    -0.12   0.25  -0.10    -0.05   0.03  -0.01    -0.01   0.02  -0.01
    17   1    -0.00   0.06  -0.30    -0.01   0.00  -0.05    -0.00  -0.01  -0.03
    18   1    -0.02  -0.00   0.02    -0.02  -0.02   0.04    -0.00  -0.01   0.01
    19   1     0.06   0.12  -0.22     0.09   0.01  -0.10    -0.27  -0.11   0.42
    20   1    -0.09   0.05  -0.18    -0.08  -0.00  -0.02     0.58  -0.12  -0.03
    21   1     0.06   0.08  -0.07     0.08  -0.02   0.08    -0.20   0.24  -0.47
    22   1    -0.02  -0.20  -0.01    -0.20  -0.32  -0.23    -0.04  -0.10  -0.04
    23   1    -0.04  -0.10   0.20     0.16  -0.03   0.35    -0.04  -0.06   0.05
    24   1    -0.04   0.01   0.03     0.01   0.39  -0.23     0.01  -0.02  -0.05
    25   1    -0.13   0.20   0.03     0.16   0.25   0.22     0.00   0.05   0.03
    26   1    -0.08  -0.07  -0.01     0.29  -0.19  -0.13    -0.00   0.08   0.02
    27   1    -0.32   0.00   0.01    -0.25  -0.05  -0.04     0.02   0.03   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.3103               224.8310               241.8621
 Red. masses --      1.9044                 1.1543                 2.5418
 Frc consts  --      0.0530                 0.0344                 0.0876
 IR Inten    --      0.2196                 0.3175                 0.7529
 RamAct Fr= 1--      0.2916                 0.1396                 0.7036
  Dep-P Fr= 1--      0.7498                 0.7473                 0.5953
  Dep-U Fr= 1--      0.8570                 0.8554                 0.7463
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0020
 Beta2  Fr= 1--      0.0416                 0.0199                 0.0875
 AlphaG Fr= 1--     -0.0000                -0.0004                 0.0009
 Gamma2 Fr= 1--      0.0756                -0.0362                 0.1933
 Delta2 Fr= 1--     -0.0197                 0.0020                 0.0976
 Raman1 Fr= 1--       1.166                  0.558                  2.814
 ROA1   Fr= 1--       6.632                 -3.413                 21.680
 CID1   Fr= 1--       5.687                 -6.112                  7.703
 Raman2 Fr= 1--       0.500                  0.239                  1.050
 ROA2   Fr= 1--       1.973                 -0.885                  3.858
 CID2   Fr= 1--       3.948                 -3.707                  3.673
 Raman3 Fr= 1--       0.999                  0.478                  2.100
 ROA3   Fr= 1--       6.632                 -3.413                 21.680
 CID3   Fr= 1--       6.636                 -7.145                 10.322
 RC180  Fr= 1--       0.714                  0.711                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.01    -0.01   0.01  -0.01
     2   6     0.01   0.00  -0.02    -0.00  -0.01  -0.01     0.00   0.01   0.01
     3   6     0.05  -0.04  -0.04    -0.05   0.01  -0.00    -0.10   0.02   0.00
     4   6    -0.01  -0.02  -0.02     0.01  -0.02  -0.01    -0.03   0.01  -0.03
     5   6    -0.01  -0.00  -0.01     0.02  -0.02  -0.02     0.02   0.02  -0.02
     6   6     0.01   0.02   0.00     0.01  -0.00   0.01     0.00   0.02   0.03
     7   6     0.01   0.02  -0.00     0.03  -0.02   0.02     0.04   0.03   0.01
     8   6    -0.09  -0.01   0.05     0.01  -0.00  -0.04     0.25  -0.05   0.06
     9   8     0.02   0.01   0.04    -0.00   0.03   0.01    -0.02   0.09   0.04
    10   6     0.08   0.14   0.08     0.02   0.02   0.03    -0.02  -0.03   0.00
    11   6    -0.06  -0.12  -0.09    -0.04   0.01   0.00    -0.14  -0.09  -0.09
    12   1     0.11  -0.06   0.02    -0.10   0.02  -0.06    -0.17   0.05  -0.07
    13   1     0.08  -0.07  -0.11    -0.08   0.03   0.06    -0.15   0.03   0.10
    14   1    -0.06  -0.04  -0.03     0.04   0.01  -0.00    -0.01   0.02  -0.00
    15   1    -0.02   0.03  -0.01     0.01  -0.06  -0.03    -0.05  -0.03  -0.08
    16   1     0.01   0.02  -0.00     0.08  -0.06   0.02     0.06   0.04   0.01
    17   1     0.01   0.02  -0.00     0.02  -0.02   0.07     0.03   0.02   0.01
    18   1     0.01   0.00  -0.03     0.04  -0.03  -0.03     0.04   0.03  -0.05
    19   1    -0.27  -0.03   0.31     0.05   0.01  -0.09     0.31  -0.28  -0.01
    20   1     0.15  -0.01   0.09    -0.04  -0.01  -0.05     0.35  -0.04   0.09
    21   1    -0.25   0.01  -0.19     0.04  -0.00   0.01     0.37   0.08   0.15
    22   1     0.04   0.05   0.03    -0.09  -0.22  -0.12     0.02   0.01   0.03
    23   1     0.29   0.15   0.23     0.20  -0.00   0.33    -0.07  -0.03  -0.05
    24   1    -0.03   0.39   0.09    -0.01   0.35  -0.09    -0.01  -0.11   0.03
    25   1    -0.03  -0.03  -0.05    -0.18  -0.30  -0.25    -0.14  -0.00  -0.10
    26   1     0.03  -0.33  -0.08    -0.35   0.29   0.18    -0.10  -0.30  -0.03
    27   1    -0.23  -0.13  -0.24     0.36   0.07   0.11    -0.30  -0.10  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    262.3832               290.0213               300.8236
 Red. masses --      2.2777                 1.9455                 2.8745
 Frc consts  --      0.0924                 0.0964                 0.1533
 IR Inten    --      0.6152                 0.3555                 1.8442
 RamAct Fr= 1--      0.7886                 0.3078                 0.6806
  Dep-P Fr= 1--      0.5863                 0.4926                 0.5430
  Dep-U Fr= 1--      0.7392                 0.6601                 0.7038
 Alpha2 Fr= 1--      0.0024                 0.0016                 0.0027
 Beta2  Fr= 1--      0.0972                 0.0339                 0.0798
 AlphaG Fr= 1--      0.0026                 0.0085                -0.0047
 Gamma2 Fr= 1--     -0.1800                 0.0736                 0.1470
 Delta2 Fr= 1--     -0.1178                 0.0592                 0.1080
 Raman1 Fr= 1--       3.154                  1.231                  2.722
 ROA1   Fr= 1--     -21.051                  8.956                 17.564
 CID1   Fr= 1--      -6.674                  7.274                  6.452
 Raman2 Fr= 1--       1.166                  0.406                  0.958
 ROA2   Fr= 1--      -3.378                  1.292                  2.663
 CID2   Fr= 1--      -2.898                  3.180                  2.780
 Raman3 Fr= 1--       2.332                  0.813                  1.916
 ROA3   Fr= 1--     -21.051                  8.956                 17.564
 CID3   Fr= 1--      -9.028                 11.020                  9.168
 RC180  Fr= 1--       0.478                  0.320                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.02  -0.02    -0.06  -0.02   0.02
     2   6    -0.01   0.03   0.00     0.02   0.05  -0.04    -0.05  -0.02  -0.00
     3   6     0.03   0.06   0.02     0.11   0.00  -0.05     0.18  -0.10  -0.02
     4   6     0.13   0.01   0.06    -0.10   0.08   0.02     0.03  -0.04   0.02
     5   6    -0.02   0.00   0.05     0.00   0.02   0.01    -0.04  -0.02   0.02
     6   6    -0.02   0.01  -0.04     0.03   0.02  -0.02    -0.08   0.04   0.00
     7   6    -0.06   0.04  -0.06     0.02  -0.04   0.08    -0.04   0.03  -0.02
     8   6    -0.01  -0.04   0.19     0.01   0.01   0.07     0.11  -0.01  -0.10
     9   8     0.00  -0.07  -0.03     0.05  -0.04  -0.01    -0.10   0.10   0.15
    10   6    -0.06   0.03  -0.12    -0.06  -0.11  -0.06    -0.08   0.06  -0.08
    11   6     0.02  -0.07  -0.06    -0.08   0.04  -0.01     0.08  -0.03   0.01
    12   1    -0.02   0.06  -0.03     0.28   0.02   0.09     0.37  -0.19   0.19
    13   1     0.04   0.16   0.07     0.18  -0.09  -0.23     0.32  -0.13  -0.29
    14   1     0.25   0.08   0.01    -0.27  -0.03   0.07    -0.06  -0.09  -0.03
    15   1     0.18  -0.12   0.13    -0.14   0.28   0.03     0.03   0.06   0.09
    16   1    -0.15   0.08  -0.06     0.08  -0.16   0.07    -0.08   0.02  -0.02
    17   1    -0.02   0.05  -0.14     0.00  -0.02   0.21    -0.01   0.04  -0.03
    18   1    -0.06  -0.03   0.12     0.02   0.02  -0.01    -0.04  -0.04   0.04
    19   1    -0.04  -0.16   0.25    -0.01  -0.06   0.11     0.13  -0.10  -0.12
    20   1     0.05   0.11   0.33     0.04   0.09   0.15     0.23  -0.12  -0.17
    21   1    -0.03  -0.14   0.21    -0.01  -0.05   0.08     0.17   0.18  -0.13
    22   1    -0.14   0.02  -0.14    -0.17  -0.38  -0.22    -0.17   0.03  -0.10
    23   1    -0.07   0.03  -0.13    -0.06  -0.16   0.23    -0.01   0.06  -0.05
    24   1     0.00   0.03  -0.19     0.02   0.10  -0.24    -0.06   0.14  -0.14
    25   1    -0.07  -0.31  -0.20    -0.08   0.11  -0.02     0.08  -0.17   0.03
    26   1    -0.17   0.07   0.06    -0.07   0.01  -0.00     0.04   0.08  -0.00
    27   1     0.29  -0.01  -0.08    -0.14   0.03   0.02     0.23  -0.00   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    384.7229               395.1090               415.9510
 Red. masses --      2.4671                 2.4238                 2.1458
 Frc consts  --      0.2151                 0.2229                 0.2187
 IR Inten    --      0.7434                 0.1689                 1.2041
 RamAct Fr= 1--      0.4080                 1.0025                 0.3541
  Dep-P Fr= 1--      0.3467                 0.2341                 0.6352
  Dep-U Fr= 1--      0.5149                 0.3794                 0.7769
 Alpha2 Fr= 1--      0.0036                 0.0124                 0.0007
 Beta2  Fr= 1--      0.0350                 0.0634                 0.0458
 AlphaG Fr= 1--     -0.0108                -0.0091                -0.0046
 Gamma2 Fr= 1--     -0.1903                -0.0954                 0.2237
 Delta2 Fr= 1--     -0.0714                -0.1273                 0.1141
 Raman1 Fr= 1--       1.632                  4.010                  1.416
 ROA1   Fr= 1--     -20.556                -13.229                 25.132
 CID1   Fr= 1--     -12.594                 -3.299                 17.745
 Raman2 Fr= 1--       0.420                  0.761                  0.550
 ROA2   Fr= 1--      -3.997                 -1.270                  4.457
 CID2   Fr= 1--      -9.512                 -1.669                  8.101
 Raman3 Fr= 1--       0.840                  1.521                  1.100
 ROA3   Fr= 1--     -20.556                -13.229                 25.132
 CID3   Fr= 1--     -24.461                 -8.696                 22.841
 RC180  Fr= 1--       0.030                 -0.241                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.10    -0.00   0.02  -0.01    -0.03   0.08   0.03
     2   6     0.06  -0.00   0.13    -0.02   0.05  -0.03    -0.02   0.06   0.03
     3   6    -0.02  -0.09   0.08    -0.02   0.06  -0.03     0.02  -0.05  -0.04
     4   6    -0.08  -0.01  -0.04    -0.05   0.06  -0.02     0.11  -0.07  -0.11
     5   6    -0.00   0.08   0.01    -0.04   0.04  -0.02    -0.04   0.08  -0.04
     6   6     0.05   0.02   0.04    -0.05   0.03  -0.03    -0.03   0.01   0.04
     7   6    -0.03   0.13  -0.04    -0.06   0.02  -0.05     0.00  -0.05   0.14
     8   6    -0.00   0.09  -0.04     0.01   0.03   0.03     0.02   0.08   0.01
     9   8     0.07  -0.03  -0.07    -0.04   0.00   0.03    -0.01  -0.06  -0.04
    10   6    -0.04  -0.04  -0.05     0.05  -0.16   0.15    -0.06   0.01   0.02
    11   6    -0.00  -0.13   0.01     0.18  -0.09  -0.06     0.01  -0.01  -0.02
    12   1    -0.01  -0.13   0.10     0.01   0.07  -0.01    -0.04  -0.16  -0.04
    13   1    -0.04  -0.21   0.06    -0.01   0.04  -0.06     0.02  -0.00  -0.03
    14   1    -0.17  -0.07  -0.06    -0.06   0.05  -0.01     0.29   0.02  -0.30
    15   1    -0.12   0.06  -0.10    -0.05   0.07  -0.02     0.20  -0.30   0.00
    16   1    -0.10   0.27  -0.02    -0.06  -0.01  -0.05     0.28  -0.30   0.13
    17   1    -0.02   0.09  -0.22    -0.05   0.03  -0.02    -0.12  -0.04   0.48
    18   1    -0.02   0.17  -0.04    -0.08   0.07  -0.02    -0.04   0.13  -0.08
    19   1     0.00   0.29  -0.06     0.01  -0.05   0.03     0.02   0.09  -0.00
    20   1    -0.06  -0.07  -0.20     0.04   0.08   0.08     0.03   0.04  -0.03
    21   1    -0.03   0.16  -0.12     0.02   0.01   0.06     0.03   0.15  -0.01
    22   1    -0.19  -0.13  -0.12     0.25  -0.34   0.08    -0.02  -0.01   0.02
    23   1    -0.12  -0.06   0.01    -0.04  -0.20   0.38    -0.14   0.00   0.03
    24   1     0.10  -0.02  -0.22    -0.02  -0.13   0.22    -0.04  -0.04   0.02
    25   1    -0.08  -0.30  -0.12     0.21  -0.31   0.04     0.04  -0.09   0.04
    26   1    -0.13  -0.19   0.17     0.19  -0.02  -0.11     0.05  -0.09  -0.03
    27   1     0.12  -0.08  -0.15     0.37  -0.02  -0.18     0.01   0.01  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    476.4676               525.0170               560.6597
 Red. masses --      3.2728                 2.9420                 4.2152
 Frc consts  --      0.4378                 0.4778                 0.7807
 IR Inten    --      0.6315                 4.2454                 2.3808
 RamAct Fr= 1--      2.0826                 0.5628                 4.8357
  Dep-P Fr= 1--      0.6146                 0.4152                 0.2259
  Dep-U Fr= 1--      0.7613                 0.5867                 0.3686
 Alpha2 Fr= 1--      0.0052                 0.0039                 0.0613
 Beta2  Fr= 1--      0.2642                 0.0550                 0.2971
 AlphaG Fr= 1--     -0.0054                 0.0034                -0.0696
 Gamma2 Fr= 1--     -0.8406                 0.4844                -0.2158
 Delta2 Fr= 1--     -0.0607                 0.0883                 0.2668
 Raman1 Fr= 1--       8.331                  2.251                 19.343
 ROA1   Fr= 1--     -82.640                 49.327                -12.181
 CID1   Fr= 1--      -9.920                 21.913                 -0.630
 Raman2 Fr= 1--       3.171                  0.660                  3.565
 ROA2   Fr= 1--     -19.689                 10.918                 -7.315
 CID2   Fr= 1--      -6.209                 16.533                 -2.052
 Raman3 Fr= 1--       6.342                  1.321                  7.130
 ROA3   Fr= 1--     -82.640                 49.327                -12.181
 CID3   Fr= 1--     -13.031                 37.347                 -1.709
 RC180  Fr= 1--       0.523                  0.173                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.08  -0.08     0.03   0.08   0.09    -0.05   0.03  -0.08
     2   6     0.03  -0.02   0.07     0.12  -0.08  -0.05     0.03  -0.01  -0.08
     3   6     0.05  -0.04   0.08     0.02   0.04  -0.02    -0.05  -0.10  -0.06
     4   6     0.04   0.00   0.03     0.02   0.06  -0.02    -0.07  -0.19   0.12
     5   6    -0.05   0.05   0.02    -0.09   0.12   0.00    -0.14  -0.03   0.16
     6   6    -0.06  -0.10   0.12     0.10  -0.06  -0.07     0.13   0.12  -0.01
     7   6    -0.09  -0.06   0.02    -0.05  -0.12  -0.06    -0.10   0.11   0.13
     8   6    -0.02   0.01   0.01    -0.04  -0.12  -0.04     0.01  -0.06  -0.05
     9   8    -0.12   0.04   0.01     0.04   0.14   0.10     0.19   0.06   0.00
    10   6     0.19  -0.07  -0.07    -0.05   0.00   0.00    -0.03  -0.02   0.02
    11   6    -0.06   0.11  -0.16    -0.01  -0.04   0.05     0.03   0.09  -0.14
    12   1     0.12  -0.11   0.17    -0.09   0.17  -0.18    -0.06   0.02  -0.13
    13   1     0.10  -0.06  -0.03    -0.08   0.04   0.16    -0.09  -0.07   0.02
    14   1     0.11   0.04  -0.11     0.09   0.09  -0.13     0.14  -0.08  -0.07
    15   1     0.09  -0.11   0.11     0.07  -0.04   0.07     0.04  -0.40   0.29
    16   1    -0.10   0.15   0.05    -0.00  -0.33  -0.09    -0.35   0.14   0.11
    17   1    -0.16  -0.14  -0.16    -0.27  -0.21   0.10    -0.03   0.11  -0.05
    18   1    -0.14   0.10   0.07    -0.20   0.23   0.03    -0.03  -0.06   0.07
    19   1    -0.02   0.14   0.00    -0.09   0.05   0.03     0.02  -0.07  -0.07
    20   1    -0.09  -0.04  -0.06    -0.14  -0.07  -0.02     0.02  -0.06  -0.05
    21   1    -0.05  -0.01  -0.03    -0.15  -0.30  -0.10     0.02  -0.04  -0.04
    22   1     0.31  -0.19  -0.11    -0.17  -0.05  -0.04     0.13  -0.11   0.00
    23   1     0.04  -0.11   0.04    -0.21  -0.02  -0.01    -0.15  -0.04   0.10
    24   1     0.21  -0.13  -0.06     0.11  -0.08  -0.14    -0.06  -0.09   0.09
    25   1    -0.15   0.20  -0.36    -0.02  -0.11   0.04     0.06   0.10  -0.08
    26   1    -0.18   0.01   0.01    -0.02  -0.17   0.13     0.05   0.21  -0.22
    27   1    -0.16   0.09  -0.14    -0.02  -0.01  -0.11     0.07   0.09  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    576.2037               619.5430               652.5346
 Red. masses --      3.6222                 2.6584                 3.7574
 Frc consts  --      0.7086                 0.6012                 0.9426
 IR Inten    --      0.8356                 0.9632                 2.1404
 RamAct Fr= 1--      2.2986                 2.0435                23.3810
  Dep-P Fr= 1--      0.5082                 0.5503                 0.0174
  Dep-U Fr= 1--      0.6739                 0.7099                 0.0342
 Alpha2 Fr= 1--      0.0109                 0.0078                 0.4989
 Beta2  Fr= 1--      0.2582                 0.2418                 0.1332
 AlphaG Fr= 1--     -0.0177                -0.0535                 0.2551
 Gamma2 Fr= 1--      0.1790                 0.2616                -0.3647
 Delta2 Fr= 1--     -0.5122                 0.3038                 0.0197
 Raman1 Fr= 1--       9.194                  8.174                 93.524
 ROA1   Fr= 1--       0.789                 34.839                -34.385
 CID1   Fr= 1--       0.086                  4.262                 -0.368
 Raman2 Fr= 1--       3.098                  2.902                  1.598
 ROA2   Fr= 1--       8.393                  3.848                 -8.912
 CID2   Fr= 1--       2.709                  1.326                 -5.577
 Raman3 Fr= 1--       6.196                  5.803                  3.196
 ROA3   Fr= 1--       0.789                 34.839                -34.385
 CID3   Fr= 1--       0.127                  6.004                -10.759
 RC180  Fr= 1--       0.348                  0.420                 -0.932
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.06   0.06    -0.03  -0.06  -0.01    -0.04   0.05  -0.02
     2   6     0.05   0.10  -0.05     0.04   0.07  -0.05     0.03   0.04   0.07
     3   6    -0.04  -0.02  -0.11     0.03   0.05  -0.13    -0.03  -0.08   0.11
     4   6    -0.06  -0.12  -0.02    -0.01  -0.01  -0.06    -0.01  -0.08   0.04
     5   6    -0.06  -0.08   0.04    -0.05  -0.06  -0.03     0.06  -0.09   0.01
     6   6    -0.06   0.12  -0.13     0.09  -0.14   0.18     0.06  -0.04  -0.11
     7   6    -0.10  -0.04  -0.01    -0.04  -0.08   0.04     0.04  -0.19  -0.18
     8   6     0.04   0.18   0.05     0.02   0.12   0.04     0.04   0.21   0.09
     9   8    -0.02   0.00   0.07     0.01   0.08  -0.03     0.03   0.05   0.05
    10   6     0.19  -0.03  -0.09    -0.05   0.01   0.01    -0.13   0.03   0.06
    11   6    -0.02  -0.06   0.14     0.01  -0.05   0.05     0.00   0.09  -0.13
    12   1    -0.12   0.03  -0.21     0.04   0.03  -0.11    -0.04  -0.15   0.14
    13   1    -0.12  -0.03   0.02     0.02   0.03  -0.13    -0.04  -0.13   0.10
    14   1    -0.01  -0.09  -0.02     0.02   0.01  -0.04    -0.10  -0.12   0.13
    15   1    -0.04  -0.14   0.05     0.02  -0.00   0.03    -0.07   0.01  -0.07
    16   1    -0.20  -0.28  -0.07    -0.12   0.50   0.13    -0.07  -0.34  -0.23
    17   1     0.02   0.07   0.16    -0.16  -0.29  -0.53     0.03  -0.18  -0.10
    18   1    -0.13   0.08  -0.01    -0.04  -0.05  -0.05    -0.01  -0.12   0.09
    19   1     0.02   0.14   0.08     0.01   0.08   0.07     0.02   0.34   0.11
    20   1     0.05   0.23   0.10     0.02   0.21   0.13    -0.02   0.18   0.05
    21   1     0.02   0.13   0.06     0.00   0.02   0.07    -0.01   0.20   0.04
    22   1     0.03   0.04  -0.09    -0.09   0.05   0.03    -0.04  -0.00   0.06
    23   1     0.19  -0.01  -0.19     0.01   0.02  -0.03    -0.13   0.02   0.12
    24   1     0.28  -0.05  -0.19    -0.07   0.04   0.02    -0.19   0.04   0.12
    25   1    -0.07   0.10   0.02     0.04  -0.04   0.12     0.03   0.03  -0.08
    26   1    -0.08  -0.07   0.20     0.04   0.06  -0.03     0.04   0.09  -0.17
    27   1    -0.13  -0.10   0.26     0.05  -0.05   0.13     0.04   0.11  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    714.3281               756.0539               836.2095
 Red. masses --      2.9996                 2.0838                 1.5196
 Frc consts  --      0.9018                 0.7018                 0.6261
 IR Inten    --      0.4383                 7.3510                 0.3252
 RamAct Fr= 1--      3.6290                 2.2608                 1.0432
  Dep-P Fr= 1--      0.5356                 0.6766                 0.1346
  Dep-U Fr= 1--      0.6976                 0.8071                 0.2373
 Alpha2 Fr= 1--      0.0150                 0.0029                 0.0168
 Beta2  Fr= 1--      0.4219                 0.3041                 0.0413
 AlphaG Fr= 1--      0.0239                 0.0096                 0.0525
 Gamma2 Fr= 1--      1.5002                 0.0665                -0.5714
 Delta2 Fr= 1--      0.5773                -0.0260                -0.1436
 Raman1 Fr= 1--      14.516                  9.043                  4.173
 ROA1   Fr= 1--     162.493                  5.547                -59.447
 CID1   Fr= 1--      11.194                  0.613                -14.246
 Raman2 Fr= 1--       5.063                  3.650                  0.495
 ROA2   Fr= 1--      31.386                  1.803                -12.565
 CID2   Fr= 1--       6.199                  0.494                -25.374
 Raman3 Fr= 1--      10.126                  7.299                  0.990
 ROA3   Fr= 1--     162.493                  5.547                -59.447
 CID3   Fr= 1--      16.046                  0.760                -60.026
 RC180  Fr= 1--       0.395                  0.614                 -0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.18   0.12    -0.03  -0.07  -0.04     0.01   0.01   0.02
     2   6     0.03   0.03  -0.10     0.20  -0.05   0.03    -0.10   0.02   0.01
     3   6    -0.01  -0.02  -0.13     0.09  -0.02  -0.01     0.03  -0.04  -0.02
     4   6    -0.02  -0.11   0.04     0.03   0.02  -0.03     0.09   0.01  -0.06
     5   6     0.13  -0.03   0.10    -0.03  -0.05  -0.03     0.04   0.01   0.05
     6   6    -0.09  -0.05  -0.02    -0.07   0.02   0.02     0.03   0.03   0.01
     7   6     0.10  -0.01   0.04    -0.04   0.08   0.05    -0.08  -0.04   0.02
     8   6    -0.00  -0.03  -0.03     0.05   0.01   0.02    -0.04  -0.02  -0.00
     9   8    -0.12  -0.04  -0.00    -0.06  -0.02   0.02     0.04   0.01  -0.01
    10   6    -0.05   0.04   0.05    -0.05  -0.01   0.02     0.02  -0.01  -0.00
    11   6     0.03   0.05  -0.02    -0.00   0.02  -0.06     0.00   0.01  -0.01
    12   1    -0.07   0.08  -0.23    -0.24   0.15  -0.38    -0.30  -0.19  -0.22
    13   1    -0.04   0.07  -0.03    -0.14   0.01   0.45    -0.03   0.25   0.25
    14   1    -0.11  -0.16   0.17    -0.19  -0.11  -0.01    -0.35  -0.25   0.01
    15   1    -0.08   0.04  -0.03    -0.01   0.28   0.02    -0.03   0.48  -0.13
    16   1    -0.11   0.28   0.07     0.05   0.01   0.05    -0.19  -0.04   0.01
    17   1     0.28   0.03  -0.26     0.03   0.14   0.16    -0.15  -0.10  -0.05
    18   1     0.15   0.09  -0.00     0.03  -0.15  -0.01    -0.00  -0.02   0.12
    19   1    -0.04   0.02   0.03    -0.02   0.33   0.12     0.03  -0.21  -0.11
    20   1    -0.06   0.04   0.02    -0.12  -0.01  -0.03     0.09  -0.08  -0.04
    21   1    -0.08  -0.18  -0.06    -0.12  -0.19  -0.11     0.10   0.20   0.07
    22   1    -0.14  -0.08  -0.03    -0.07   0.03   0.03     0.01  -0.00  -0.00
    23   1    -0.35   0.00   0.09     0.01   0.00  -0.00     0.02  -0.01   0.01
    24   1     0.17  -0.11  -0.13    -0.09   0.03   0.05     0.02  -0.01  -0.00
    25   1    -0.02  -0.06  -0.10     0.02   0.05  -0.02    -0.01   0.00  -0.03
    26   1    -0.02  -0.15   0.13     0.02   0.11  -0.13    -0.01  -0.01   0.02
    27   1     0.02   0.10  -0.28     0.01   0.00   0.03    -0.00   0.02  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.2119               873.5968               926.6827
 Red. masses --      2.6435                 2.1939                 2.5998
 Frc consts  --      1.1606                 0.9865                 1.3154
 IR Inten    --      1.9531                 0.4185                 1.1582
 RamAct Fr= 1--      3.2140                 6.5513                 4.0792
  Dep-P Fr= 1--      0.0882                 0.1904                 0.1533
  Dep-U Fr= 1--      0.1621                 0.3199                 0.2659
 Alpha2 Fr= 1--      0.0579                 0.0913                 0.0625
 Beta2  Fr= 1--      0.0868                 0.3493                 0.1807
 AlphaG Fr= 1--      0.0074                -0.1589                -0.0109
 Gamma2 Fr= 1--     -0.2325                -0.5783                 1.8274
 Delta2 Fr= 1--     -0.2227                -0.2456                 0.2601
 Raman1 Fr= 1--      12.856                 26.205                 16.317
 ROA1   Fr= 1--     -29.444                -63.375                183.754
 CID1   Fr= 1--      -2.290                 -2.418                 11.262
 Raman2 Fr= 1--       1.042                  4.191                  2.169
 ROA2   Fr= 1--      -3.797                -11.914                 41.776
 CID2   Fr= 1--      -3.644                 -2.843                 19.261
 Raman3 Fr= 1--       2.084                  8.383                  4.338
 ROA3   Fr= 1--     -29.444                -63.375                183.754
 CID3   Fr= 1--     -14.127                 -7.560                 42.360
 RC180  Fr= 1--      -0.676                 -0.360                 -0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05     0.02   0.00   0.01     0.05   0.01   0.05
     2   6     0.04   0.04  -0.12     0.03  -0.03   0.11     0.02   0.04  -0.07
     3   6    -0.03  -0.11   0.10    -0.07   0.02  -0.12     0.04   0.04   0.21
     4   6     0.01   0.06  -0.05     0.03   0.15  -0.10    -0.02   0.01  -0.12
     5   6     0.12   0.18   0.15     0.07  -0.09   0.08    -0.02  -0.16  -0.10
     6   6    -0.02  -0.05  -0.09    -0.01   0.05  -0.03    -0.01   0.08  -0.01
     7   6     0.01  -0.01   0.08    -0.07  -0.04   0.06    -0.08  -0.03   0.08
     8   6     0.02   0.03  -0.04     0.01  -0.04   0.04    -0.01  -0.01  -0.08
     9   8    -0.05  -0.00   0.02     0.01  -0.00   0.01     0.03   0.00   0.01
    10   6    -0.01  -0.02  -0.02    -0.03   0.01   0.02    -0.02   0.03   0.05
    11   6    -0.02  -0.05   0.01     0.01   0.01  -0.01     0.03   0.04  -0.01
    12   1    -0.03  -0.08   0.07     0.12  -0.06   0.08     0.06   0.06   0.22
    13   1    -0.07  -0.23   0.10    -0.05  -0.25  -0.33     0.04  -0.08   0.14
    14   1     0.03   0.05  -0.29     0.24   0.29  -0.01     0.05   0.06  -0.13
    15   1    -0.03  -0.10  -0.24     0.05  -0.09  -0.19    -0.02  -0.12  -0.20
    16   1    -0.30   0.07   0.06    -0.41  -0.08   0.01    -0.21   0.10   0.09
    17   1    -0.06  -0.10  -0.15     0.08   0.02  -0.06     0.07   0.01  -0.10
    18   1     0.20   0.08   0.15     0.13  -0.27   0.17     0.06  -0.22  -0.14
    19   1    -0.06  -0.06   0.08     0.03   0.23  -0.01    -0.06  -0.34   0.01
    20   1     0.01   0.29   0.19    -0.09  -0.27  -0.19     0.09   0.30   0.22
    21   1    -0.06  -0.24   0.00    -0.03   0.07  -0.08     0.01  -0.22   0.07
    22   1     0.05   0.06   0.03    -0.04   0.01   0.02    -0.19  -0.01   0.00
    23   1     0.19   0.00  -0.03    -0.03   0.01   0.01    -0.18   0.02  -0.02
    24   1    -0.15   0.09   0.08    -0.02   0.01   0.01     0.17  -0.06  -0.13
    25   1     0.04   0.04   0.12    -0.02   0.04  -0.09    -0.03  -0.00  -0.14
    26   1     0.03   0.17  -0.15    -0.02  -0.02   0.04    -0.02  -0.15   0.14
    27   1     0.05  -0.08   0.25    -0.02   0.01  -0.03    -0.03   0.06  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    944.2818               947.7758               960.2831
 Red. masses --      1.7395                 2.1469                 1.6752
 Frc consts  --      0.9138                 1.1363                 0.9102
 IR Inten    --      2.2311                 1.8846                 1.4287
 RamAct Fr= 1--      2.4519                 2.0216                 4.3291
  Dep-P Fr= 1--      0.4784                 0.7493                 0.7332
  Dep-U Fr= 1--      0.6471                 0.8567                 0.8461
 Alpha2 Fr= 1--      0.0133                 0.0000                 0.0012
 Beta2  Fr= 1--      0.2645                 0.2886                 0.6104
 AlphaG Fr= 1--     -0.0127                 0.0014                 0.0106
 Gamma2 Fr= 1--      0.5765                 0.5551                -0.4952
 Delta2 Fr= 1--      0.8772                 0.8031                -1.2334
 Raman1 Fr= 1--       9.808                  8.086                 17.317
 ROA1   Fr= 1--      83.417                 78.992                -87.009
 CID1   Fr= 1--       8.505                  9.769                 -5.025
 Raman2 Fr= 1--       3.174                  3.464                  7.325
 ROA2   Fr= 1--       6.819                  6.898                 -2.017
 CID2   Fr= 1--       2.149                  1.991                 -0.275
 Raman3 Fr= 1--       6.347                  6.927                 14.651
 ROA3   Fr= 1--      83.417                 78.992                -87.009
 CID3   Fr= 1--      13.143                 11.403                 -5.939
 RC180  Fr= 1--       0.294                  0.713                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.00     0.05  -0.09   0.05    -0.03   0.07  -0.08
     2   6    -0.03  -0.02   0.05     0.00  -0.00   0.04     0.01  -0.01   0.02
     3   6     0.09   0.03   0.01     0.01   0.15   0.00     0.02   0.08   0.04
     4   6    -0.08   0.01  -0.03    -0.04  -0.15  -0.04    -0.02  -0.08  -0.03
     5   6    -0.05   0.04  -0.00     0.10   0.07   0.01     0.04  -0.01  -0.02
     6   6    -0.02   0.05  -0.08     0.01  -0.02   0.00     0.01  -0.01  -0.03
     7   6     0.11  -0.10   0.05    -0.09   0.03   0.01    -0.04   0.01   0.03
     8   6    -0.03  -0.01   0.04     0.00  -0.02   0.01     0.03  -0.02   0.01
     9   8    -0.00  -0.02   0.01    -0.01   0.00   0.00     0.00   0.01   0.01
    10   6    -0.04  -0.02  -0.01    -0.05  -0.05   0.05    -0.03   0.06  -0.09
    11   6     0.03   0.00  -0.01     0.03   0.02  -0.09     0.02  -0.05   0.09
    12   1    -0.08   0.14  -0.18     0.17   0.15   0.14     0.05   0.05   0.07
    13   1    -0.01   0.10   0.23     0.14   0.22  -0.18     0.08   0.18  -0.00
    14   1     0.05   0.06  -0.31    -0.04  -0.14   0.06    -0.08  -0.13   0.01
    15   1     0.05  -0.14   0.25    -0.11  -0.09  -0.20    -0.05  -0.01  -0.09
    16   1    -0.19   0.22   0.07    -0.15  -0.16  -0.03    -0.15  -0.05   0.01
    17   1     0.32  -0.06  -0.32    -0.24  -0.03   0.11    -0.08  -0.02  -0.01
    18   1    -0.08   0.23  -0.13     0.14   0.31  -0.21     0.21  -0.07  -0.14
    19   1     0.05  -0.02  -0.08     0.00   0.04   0.00    -0.01   0.16   0.05
    20   1     0.04  -0.19  -0.11    -0.03  -0.07  -0.04    -0.07  -0.06  -0.04
    21   1     0.07   0.24   0.03    -0.01  -0.01  -0.02    -0.06  -0.07  -0.06
    22   1     0.02   0.06   0.05    -0.33   0.17   0.13     0.56  -0.18  -0.12
    23   1     0.15   0.00  -0.01     0.23   0.02  -0.15    -0.19  -0.02   0.28
    24   1    -0.18   0.07   0.11    -0.04   0.13  -0.04    -0.27  -0.06   0.25
    25   1    -0.03   0.09  -0.16    -0.00   0.18  -0.18    -0.04   0.02  -0.04
    26   1    -0.05  -0.05   0.10    -0.03   0.13  -0.09    -0.07  -0.12   0.21
    27   1    -0.06  -0.02   0.02    -0.02  -0.03   0.11    -0.09  -0.07   0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    966.2582              1002.9684              1032.5153
 Red. masses --      1.6050                 1.7337                 1.4950
 Frc consts  --      0.8829                 1.0276                 0.9390
 IR Inten    --      2.4686                 0.0792                 0.7856
 RamAct Fr= 1--      4.2435                 2.0749                 1.9485
  Dep-P Fr= 1--      0.7311                 0.6637                 0.7381
  Dep-U Fr= 1--      0.8447                 0.7979                 0.8493
 Alpha2 Fr= 1--      0.0014                 0.0032                 0.0004
 Beta2  Fr= 1--      0.5974                 0.2759                 0.2758
 AlphaG Fr= 1--     -0.0013                 0.0127                -0.0011
 Gamma2 Fr= 1--      0.2338                 0.1806                -0.2464
 Delta2 Fr= 1--     -1.1307                 0.1714                -0.4166
 Raman1 Fr= 1--      16.974                  8.300                  7.794
 ROA1   Fr= 1--     -13.737                 22.820                -36.990
 CID1   Fr= 1--      -0.809                  2.750                 -4.746
 Raman2 Fr= 1--       7.169                  3.311                  3.310
 ROA2   Fr= 1--      14.657                  2.962                 -2.582
 CID2   Fr= 1--       2.045                  0.895                 -0.780
 Raman3 Fr= 1--      14.337                  6.622                  6.619
 ROA3   Fr= 1--     -13.737                 22.820                -36.990
 CID3   Fr= 1--      -0.958                  3.446                 -5.588
 RC180  Fr= 1--       0.689                  0.596                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.03     0.02  -0.00  -0.01    -0.01  -0.01   0.02
     2   6     0.00  -0.01   0.03     0.01  -0.00  -0.03    -0.01  -0.01   0.01
     3   6     0.03   0.05   0.03    -0.01  -0.09  -0.03    -0.01   0.04  -0.01
     4   6    -0.03  -0.04  -0.02     0.02   0.03   0.12    -0.00  -0.01  -0.06
     5   6     0.02  -0.01  -0.01     0.08   0.03  -0.11    -0.06  -0.03   0.09
     6   6     0.00  -0.00  -0.04    -0.00   0.02  -0.01     0.02  -0.05   0.02
     7   6    -0.00  -0.02   0.04    -0.08   0.00   0.03     0.03   0.04  -0.03
     8   6     0.02  -0.02   0.03    -0.01   0.02  -0.00     0.03   0.01  -0.03
     9   8     0.00   0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.00
    10   6     0.10  -0.04  -0.03    -0.04  -0.05  -0.02    -0.02  -0.07  -0.05
    11   6    -0.10   0.05   0.02     0.04   0.06   0.05     0.04   0.08   0.03
    12   1     0.03   0.08   0.01    -0.01   0.07  -0.12    -0.02  -0.12   0.06
    13   1     0.04   0.09   0.03    -0.09  -0.19   0.07     0.04   0.09  -0.07
    14   1    -0.01  -0.03  -0.06     0.13   0.11   0.26    -0.08  -0.07  -0.18
    15   1    -0.02  -0.06  -0.02     0.04  -0.02   0.15    -0.01   0.03  -0.05
    16   1    -0.14   0.04   0.03    -0.07   0.01   0.04     0.07  -0.06  -0.04
    17   1     0.01  -0.05  -0.12    -0.27  -0.12  -0.03     0.19   0.16   0.11
    18   1     0.16  -0.07  -0.10     0.23   0.02  -0.26    -0.19  -0.08   0.27
    19   1     0.01   0.15   0.02     0.00  -0.06  -0.02    -0.05   0.00   0.09
    20   1    -0.06  -0.11  -0.07     0.04   0.04   0.02    -0.03   0.17   0.10
    21   1    -0.03   0.01  -0.05     0.03   0.05   0.03    -0.05  -0.21  -0.02
    22   1    -0.02   0.05  -0.01    -0.00   0.13   0.09     0.07   0.13   0.08
    23   1     0.21  -0.01  -0.15     0.30  -0.00  -0.07     0.37  -0.02  -0.06
    24   1     0.13   0.03  -0.10    -0.25   0.15   0.13    -0.28   0.16   0.15
    25   1     0.08  -0.40   0.46    -0.05  -0.11  -0.12    -0.05  -0.09  -0.14
    26   1     0.18   0.00  -0.24    -0.03  -0.29   0.27    -0.03  -0.26   0.25
    27   1     0.21   0.19  -0.38    -0.06   0.10  -0.31    -0.06   0.12  -0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1039.7231              1057.4110              1102.1967
 Red. masses --      1.9694                 2.1714                 1.3159
 Frc consts  --      1.2544                 1.4305                 0.9419
 IR Inten    --     22.3124                20.8080                 1.8891
 RamAct Fr= 1--      2.3346                 1.2062                 1.5726
  Dep-P Fr= 1--      0.6822                 0.6054                 0.6772
  Dep-U Fr= 1--      0.8111                 0.7542                 0.8076
 Alpha2 Fr= 1--      0.0028                 0.0032                 0.0020
 Beta2  Fr= 1--      0.3156                 0.1516                 0.2117
 AlphaG Fr= 1--      0.0090                -0.0146                -0.0066
 Gamma2 Fr= 1--     -0.0353                -0.4487                -1.0300
 Delta2 Fr= 1--      0.2726                 0.3006                -0.5364
 Raman1 Fr= 1--       9.338                  4.825                  6.291
 ROA1   Fr= 1--       5.339                -33.460               -116.048
 CID1   Fr= 1--       0.572                 -6.935                -18.448
 Raman2 Fr= 1--       3.787                  1.819                  2.540
 ROA2   Fr= 1--      -3.027                -13.174                -20.429
 CID2   Fr= 1--      -0.799                 -7.241                 -8.043
 Raman3 Fr= 1--       7.574                  3.639                  5.080
 ROA3   Fr= 1--       5.339                -33.460               -116.048
 CID3   Fr= 1--       0.705                 -9.196                -22.844
 RC180  Fr= 1--       0.622                  0.508                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00   0.01  -0.03     0.02   0.01  -0.03
     2   6     0.01   0.08   0.01     0.04   0.05  -0.01    -0.03   0.01   0.05
     3   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.02  -0.01  -0.03
     4   6     0.07  -0.03   0.02    -0.08  -0.03  -0.02    -0.05   0.03   0.02
     5   6    -0.01   0.01  -0.05     0.09  -0.00   0.07     0.04  -0.01  -0.01
     6   6    -0.05   0.18   0.05    -0.03   0.10   0.18     0.00   0.00   0.09
     7   6    -0.00  -0.12   0.00    -0.02  -0.05  -0.12    -0.00  -0.01  -0.05
     8   6     0.08  -0.08  -0.03    -0.05  -0.03  -0.01     0.03   0.00  -0.05
     9   8     0.03  -0.02  -0.01    -0.00  -0.02  -0.03     0.00  -0.00  -0.02
    10   6    -0.02  -0.03  -0.02    -0.02   0.01  -0.03    -0.01   0.01   0.01
    11   6    -0.02  -0.02   0.00    -0.02   0.01   0.02    -0.02  -0.01   0.00
    12   1     0.01  -0.14   0.15     0.11   0.47  -0.23    -0.15  -0.28  -0.04
    13   1     0.03   0.03  -0.14    -0.09  -0.22   0.20     0.03   0.14   0.04
    14   1    -0.06  -0.08   0.24     0.11   0.08  -0.11     0.03   0.06  -0.18
    15   1    -0.00   0.16  -0.06    -0.10  -0.29  -0.23     0.10   0.00   0.42
    16   1     0.04   0.18   0.06     0.08  -0.16  -0.13    -0.42  -0.33  -0.15
    17   1     0.09  -0.11  -0.18    -0.10  -0.05   0.08     0.20   0.13   0.07
    18   1    -0.38   0.37   0.04    -0.12  -0.02   0.30     0.20   0.10  -0.25
    19   1    -0.04   0.21   0.12     0.02  -0.22  -0.12    -0.06  -0.06   0.08
    20   1    -0.16  -0.02  -0.02     0.09  -0.08  -0.03    -0.02   0.18   0.10
    21   1    -0.16  -0.38  -0.18     0.07   0.11   0.06    -0.04  -0.25  -0.01
    22   1     0.03   0.06   0.04     0.12  -0.02  -0.02    -0.05  -0.00   0.00
    23   1     0.14  -0.00  -0.01     0.01   0.00   0.04    -0.04   0.01  -0.00
    24   1    -0.15   0.09   0.07    -0.10   0.01   0.07     0.02  -0.00  -0.01
    25   1     0.02  -0.01   0.08     0.01  -0.10   0.10     0.02  -0.03   0.09
    26   1     0.02   0.07  -0.08     0.03  -0.03  -0.02     0.02   0.04  -0.06
    27   1     0.04  -0.02   0.06     0.02   0.04  -0.07     0.03  -0.01   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1120.4900              1150.6750              1173.3680
 Red. masses --      1.4432                 2.0119                 2.4792
 Frc consts  --      1.0676                 1.5695                 2.0111
 IR Inten    --      3.7993                 1.0148                 0.5374
 RamAct Fr= 1--      5.0437                 0.8963                 3.2521
  Dep-P Fr= 1--      0.7433                 0.6768                 0.7492
  Dep-U Fr= 1--      0.8528                 0.8072                 0.8566
 Alpha2 Fr= 1--      0.0006                 0.0012                 0.0000
 Beta2  Fr= 1--      0.7169                 0.1206                 0.4643
 AlphaG Fr= 1--     -0.0010                 0.0106                 0.0050
 Gamma2 Fr= 1--      0.8594                -0.4232                 1.0009
 Delta2 Fr= 1--      0.0131                -0.7635                 0.1362
 Raman1 Fr= 1--      20.175                  3.585                 13.009
 ROA1   Fr= 1--      82.920                -65.061                100.440
 CID1   Fr= 1--       4.110                -18.147                  7.721
 Raman2 Fr= 1--       8.602                  1.447                  5.572
 ROA2   Fr= 1--      20.520                 -4.050                 22.931
 CID2   Fr= 1--       2.385                 -2.799                  4.116
 Raman3 Fr= 1--      17.205                  2.894                 11.144
 ROA3   Fr= 1--      82.920                -65.061                100.440
 CID3   Fr= 1--       4.820                -22.481                  9.013
 RC180  Fr= 1--       0.706                  0.614                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.06    -0.11  -0.06   0.11    -0.03   0.07   0.16
     2   6     0.07  -0.01   0.07    -0.04  -0.04   0.14    -0.14   0.11  -0.08
     3   6     0.00   0.03  -0.02     0.03   0.04  -0.07     0.09  -0.05   0.03
     4   6     0.04  -0.01  -0.03    -0.03  -0.01  -0.01    -0.07   0.07  -0.03
     5   6    -0.01  -0.03   0.00    -0.00   0.03   0.03     0.03  -0.12   0.01
     6   6     0.02  -0.06  -0.03    -0.02   0.07  -0.04     0.04  -0.08  -0.00
     7   6    -0.02   0.01   0.03     0.06  -0.02  -0.01    -0.03   0.04  -0.02
     8   6    -0.07   0.02  -0.05     0.03   0.03  -0.09     0.06  -0.05   0.04
     9   8    -0.01   0.01   0.01     0.01  -0.02   0.00     0.02   0.02  -0.00
    10   6    -0.02  -0.00  -0.06     0.05   0.03  -0.03     0.02  -0.04  -0.05
    11   6    -0.05  -0.01  -0.03     0.03   0.02  -0.05     0.02  -0.04  -0.06
    12   1     0.02  -0.01   0.01    -0.05  -0.04  -0.10    -0.15  -0.09  -0.16
    13   1    -0.10  -0.27   0.01    -0.08  -0.14   0.05    -0.03  -0.03   0.27
    14   1     0.07   0.05   0.37     0.07   0.07   0.15     0.20   0.26   0.19
    15   1     0.01   0.09  -0.05    -0.00  -0.03   0.05    -0.02  -0.20  -0.06
    16   1    -0.09  -0.01   0.02     0.18   0.10   0.02     0.16  -0.00  -0.00
    17   1     0.25   0.18   0.05    -0.44  -0.35  -0.14    -0.07   0.05   0.10
    18   1    -0.16   0.35  -0.16     0.16  -0.12  -0.01    -0.03   0.17  -0.16
    19   1    -0.02  -0.35  -0.09    -0.11  -0.15   0.14     0.01   0.29   0.08
    20   1     0.17   0.12   0.09     0.00   0.32   0.18    -0.20  -0.17  -0.12
    21   1     0.11   0.07   0.16    -0.02  -0.33   0.04    -0.13  -0.08  -0.19
    22   1     0.22  -0.00  -0.02     0.17  -0.10  -0.08     0.15   0.06   0.02
    23   1     0.06  -0.01   0.10    -0.07  -0.01   0.07     0.20  -0.02   0.01
    24   1    -0.20   0.03   0.14     0.08  -0.11   0.00    -0.11   0.06   0.06
    25   1     0.04  -0.02   0.15    -0.02   0.10  -0.17     0.02   0.21  -0.07
    26   1     0.05   0.14  -0.20    -0.04   0.03   0.01    -0.07   0.19  -0.07
    27   1     0.09   0.01   0.03    -0.06  -0.00  -0.01    -0.01  -0.08   0.19
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1191.9830              1218.6914              1228.3190
 Red. masses --      1.6685                 1.9588                 1.7583
 Frc consts  --      1.3967                 1.7141                 1.5630
 IR Inten    --      3.3791                 1.0053                 3.2303
 RamAct Fr= 1--      1.7389                 1.8244                 2.1632
  Dep-P Fr= 1--      0.7499                 0.7093                 0.6826
  Dep-U Fr= 1--      0.8571                 0.8299                 0.8113
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0026
 Beta2  Fr= 1--      0.2484                 0.2523                 0.2925
 AlphaG Fr= 1--      0.0000                 0.0050                -0.0145
 Gamma2 Fr= 1--      1.0542                -1.0487                -0.7722
 Delta2 Fr= 1--      0.5564                -0.8333                -0.9129
 Raman1 Fr= 1--       6.956                  7.298                  8.653
 ROA1   Fr= 1--     119.006               -127.343               -103.341
 CID1   Fr= 1--      17.109                -17.450                -11.943
 Raman2 Fr= 1--       2.981                  3.028                  3.510
 ROA2   Fr= 1--      20.849                -18.503                -11.229
 CID2   Fr= 1--       6.994                 -6.110                 -3.199
 Raman3 Fr= 1--       5.962                  6.056                  7.020
 ROA3   Fr= 1--     119.006               -127.343               -103.341
 CID3   Fr= 1--      19.962                -21.027                -14.720
 RC180  Fr= 1--       0.714                  0.660                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.09  -0.00    -0.10  -0.05   0.04    -0.08   0.17   0.03
     2   6    -0.10  -0.11  -0.06     0.08   0.15  -0.07    -0.02  -0.03   0.03
     3   6     0.01  -0.03   0.01    -0.04   0.05   0.04    -0.02  -0.02  -0.01
     4   6     0.05   0.01  -0.01     0.06  -0.03  -0.04     0.04  -0.03   0.01
     5   6    -0.00   0.03  -0.00    -0.07   0.00   0.04    -0.05   0.05  -0.06
     6   6     0.01  -0.01   0.05    -0.01  -0.01   0.05     0.00   0.00   0.04
     7   6     0.01  -0.00   0.02     0.08   0.01  -0.04     0.01  -0.04  -0.00
     8   6     0.05   0.05   0.02    -0.03  -0.06   0.04    -0.00   0.01  -0.03
     9   8     0.02   0.00  -0.01    -0.02  -0.01  -0.01     0.01   0.00  -0.01
    10   6     0.03   0.05   0.01     0.03   0.00  -0.01     0.02  -0.07   0.01
    11   6     0.03   0.04   0.00     0.05   0.03  -0.00     0.04  -0.07  -0.03
    12   1     0.12   0.37  -0.10     0.03  -0.08   0.16     0.19   0.44  -0.06
    13   1    -0.02  -0.09   0.03    -0.17  -0.47  -0.02    -0.03  -0.08  -0.01
    14   1     0.04   0.03   0.23    -0.11  -0.12   0.03    -0.06  -0.10   0.04
    15   1    -0.04   0.04  -0.25     0.11   0.23   0.27     0.00   0.07  -0.04
    16   1    -0.36  -0.16  -0.04    -0.23  -0.22  -0.11    -0.18  -0.09  -0.03
    17   1     0.25   0.14   0.03    -0.09  -0.10  -0.03     0.26   0.11  -0.02
    18   1    -0.20   0.40  -0.09     0.24   0.02  -0.29     0.18  -0.41   0.07
    19   1    -0.01   0.20   0.10     0.07  -0.01  -0.11    -0.03  -0.05   0.03
    20   1    -0.08   0.09   0.04     0.00  -0.26  -0.14     0.01   0.09   0.05
    21   1    -0.03   0.00  -0.04    -0.02   0.11  -0.05     0.01  -0.04   0.03
    22   1     0.04  -0.12  -0.08     0.05  -0.04  -0.03    -0.07   0.12   0.09
    23   1    -0.15   0.01   0.03     0.01  -0.00  -0.01     0.25  -0.01  -0.15
    24   1     0.14  -0.11  -0.05     0.06  -0.04  -0.02     0.02   0.13  -0.08
    25   1    -0.03  -0.04  -0.10    -0.03   0.04  -0.16     0.03   0.21  -0.07
    26   1    -0.02  -0.10   0.11    -0.05  -0.05   0.12    -0.13   0.13   0.05
    27   1    -0.07   0.04  -0.12    -0.11   0.01  -0.06    -0.08  -0.14   0.28
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.4819              1268.2079              1275.5231
 Red. masses --      1.7892                 1.9539                 1.5113
 Frc consts  --      1.6431                 1.8516                 1.4487
 IR Inten    --      1.7872                 0.0451                 3.0669
 RamAct Fr= 1--      4.2458                 1.1486                 5.2175
  Dep-P Fr= 1--      0.6529                 0.6507                 0.7305
  Dep-U Fr= 1--      0.7900                 0.7884                 0.8443
 Alpha2 Fr= 1--      0.0074                 0.0020                 0.0017
 Beta2  Fr= 1--      0.5590                 0.1509                 0.7342
 AlphaG Fr= 1--      0.0118                -0.0014                -0.0014
 Gamma2 Fr= 1--     -0.0610                 0.1897                 2.4052
 Delta2 Fr= 1--     -0.7310                 0.3333                 1.1897
 Raman1 Fr= 1--      16.983                  4.594                 20.870
 ROA1   Fr= 1--     -29.251                 28.873                268.966
 CID1   Fr= 1--      -1.722                  6.284                 12.888
 Raman2 Fr= 1--       6.708                  1.811                  8.810
 ROA2   Fr= 1--       4.384                  1.886                 48.207
 CID2   Fr= 1--       0.654                  1.041                  5.472
 Raman3 Fr= 1--      13.416                  3.622                 17.620
 ROA3   Fr= 1--     -29.251                 28.873                268.966
 CID3   Fr= 1--      -2.180                  7.971                 15.265
 RC180  Fr= 1--       0.580                  0.577                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05   0.17    -0.10  -0.07   0.06    -0.06  -0.04   0.08
     2   6     0.00  -0.05  -0.06     0.02   0.07   0.03     0.11   0.02  -0.03
     3   6    -0.09  -0.05   0.02    -0.01   0.03  -0.04    -0.01  -0.06  -0.00
     4   6     0.03   0.04   0.00     0.00   0.00   0.09    -0.03   0.02   0.03
     5   6     0.02  -0.03  -0.02     0.09   0.05  -0.05    -0.04   0.05  -0.05
     6   6    -0.01   0.03   0.03     0.02  -0.04  -0.02    -0.01   0.01   0.04
     7   6     0.00   0.01  -0.01    -0.15  -0.09  -0.02     0.03  -0.02  -0.00
     8   6     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.04  -0.01   0.01
     9   8     0.00  -0.01  -0.01     0.02   0.02   0.01    -0.01  -0.00  -0.00
    10   6    -0.03   0.02  -0.07     0.03   0.04  -0.01     0.01   0.01  -0.03
    11   6    -0.04   0.01  -0.05     0.03   0.01  -0.01     0.02   0.01  -0.02
    12   1     0.19   0.41   0.03    -0.02  -0.12   0.03    -0.10  -0.28   0.02
    13   1     0.09   0.21  -0.20    -0.09  -0.16   0.01     0.24   0.62  -0.08
    14   1    -0.16  -0.13  -0.48    -0.10  -0.11  -0.43     0.11   0.14   0.24
    15   1     0.11   0.14   0.27    -0.04  -0.05  -0.05    -0.12  -0.18  -0.33
    16   1    -0.01  -0.02  -0.01     0.30   0.27   0.09    -0.22  -0.10  -0.04
    17   1    -0.12  -0.06   0.00     0.52   0.34   0.12     0.10   0.02  -0.02
    18   1     0.06  -0.05  -0.05     0.06   0.00   0.02     0.03  -0.16   0.05
    19   1     0.01   0.04  -0.00    -0.01  -0.04   0.00     0.04  -0.06  -0.09
    20   1    -0.00   0.02   0.01    -0.01  -0.04  -0.03     0.10  -0.06  -0.02
    21   1     0.01   0.06  -0.00    -0.01  -0.05  -0.01     0.03   0.06   0.05
    22   1     0.25  -0.01  -0.03     0.08  -0.10  -0.07     0.11  -0.04  -0.03
    23   1     0.02  -0.01   0.18    -0.07   0.01   0.03     0.03  -0.00   0.04
    24   1    -0.17  -0.05   0.14     0.09  -0.10  -0.02    -0.00  -0.05   0.01
    25   1     0.02   0.04   0.06    -0.02   0.04  -0.13    -0.01   0.04  -0.09
    26   1     0.05   0.11  -0.17    -0.03   0.00   0.04    -0.02   0.02   0.01
    27   1     0.10   0.04  -0.04    -0.07   0.00  -0.05    -0.05   0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1302.5950              1328.2324              1335.7280
 Red. masses --      2.1532                 1.7044                 1.4893
 Frc consts  --      2.1526                 1.7717                 1.5655
 IR Inten    --      8.4663                 1.9652                 1.1022
 RamAct Fr= 1--      2.4377                 3.5193                 1.8029
  Dep-P Fr= 1--      0.7431                 0.6543                 0.7203
  Dep-U Fr= 1--      0.8526                 0.7910                 0.8374
 Alpha2 Fr= 1--      0.0003                 0.0060                 0.0009
 Beta2  Fr= 1--      0.3464                 0.4640                 0.2516
 AlphaG Fr= 1--      0.0068                 0.0023                 0.0077
 Gamma2 Fr= 1--      0.9040                 1.0708                -0.6517
 Delta2 Fr= 1--      1.1600                 0.6159                -0.4626
 Raman1 Fr= 1--       9.751                 14.077                  7.211
 ROA1   Fr= 1--     123.903                122.508                -77.366
 CID1   Fr= 1--      12.707                  8.703                -10.728
 Raman2 Fr= 1--       4.157                  5.568                  3.020
 ROA2   Fr= 1--      12.416                 20.773                -11.940
 CID2   Fr= 1--       2.987                  3.731                 -3.954
 Raman3 Fr= 1--       8.314                 11.135                  6.039
 ROA3   Fr= 1--     123.903                122.508                -77.366
 CID3   Fr= 1--      14.903                 11.002                -12.811
 RC180  Fr= 1--       0.705                  0.582                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.07   0.03     0.10  -0.05  -0.01     0.02  -0.05   0.02
     2   6    -0.08   0.13   0.06    -0.05   0.02   0.00    -0.02   0.03  -0.01
     3   6     0.04   0.02  -0.04     0.01  -0.03   0.01    -0.00  -0.01   0.03
     4   6     0.03  -0.02   0.10     0.02  -0.00  -0.04    -0.06  -0.06  -0.11
     5   6    -0.07   0.06  -0.11    -0.12   0.07   0.10     0.06   0.09  -0.05
     6   6     0.02  -0.05  -0.02    -0.01   0.02   0.01     0.01  -0.02  -0.01
     7   6     0.07   0.05   0.05    -0.04  -0.07  -0.06    -0.03  -0.01   0.01
     8   6     0.03  -0.03  -0.01     0.02  -0.00   0.00     0.01  -0.01   0.01
     9   8    -0.01   0.00   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    10   6    -0.03   0.03  -0.01    -0.02   0.01  -0.01    -0.01   0.02  -0.00
    11   6    -0.04   0.01  -0.01    -0.03   0.03  -0.00    -0.01   0.01  -0.00
    12   1     0.01   0.05  -0.07     0.02   0.14  -0.07     0.03   0.08   0.01
    13   1    -0.14  -0.29   0.12     0.04   0.06   0.00     0.01   0.02   0.02
    14   1    -0.07  -0.10  -0.12     0.08   0.07   0.28     0.12   0.10   0.44
    15   1    -0.14  -0.11  -0.41    -0.03   0.06  -0.16     0.15   0.13   0.57
    16   1    -0.38  -0.22  -0.05     0.27   0.16   0.01    -0.05   0.07   0.03
    17   1    -0.01  -0.03  -0.07     0.24   0.12   0.05     0.12   0.10   0.07
    18   1    -0.10  -0.35   0.24     0.59  -0.21  -0.40    -0.14  -0.29   0.45
    19   1    -0.02  -0.04   0.05    -0.00   0.02   0.03     0.01   0.03   0.00
    20   1    -0.12  -0.07  -0.06    -0.06   0.00  -0.01    -0.04  -0.03  -0.02
    21   1    -0.08  -0.15  -0.09    -0.04  -0.04  -0.05    -0.02   0.00  -0.04
    22   1     0.05  -0.02  -0.02     0.00   0.01   0.00     0.04  -0.05  -0.03
    23   1    -0.06   0.00   0.10    -0.02  -0.00   0.07    -0.02   0.01   0.04
    24   1    -0.07  -0.05   0.07    -0.05  -0.04   0.05     0.02  -0.06   0.01
    25   1     0.01  -0.06   0.10     0.01  -0.09   0.09    -0.00  -0.02   0.00
    26   1     0.08  -0.00  -0.12     0.06  -0.07  -0.05     0.03  -0.03  -0.02
    27   1     0.11   0.04  -0.03     0.08   0.04  -0.01     0.03   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1350.1459              1409.5625              1416.5965
 Red. masses --      2.3458                 1.2380                 1.2818
 Frc consts  --      2.5194                 1.4493                 1.5155
 IR Inten    --      5.1502                 6.8337                 6.7660
 RamAct Fr= 1--      3.7449                 0.0531                 0.2958
  Dep-P Fr= 1--      0.5158                 0.5162                 0.1557
  Dep-U Fr= 1--      0.6806                 0.6809                 0.2694
 Alpha2 Fr= 1--      0.0171                 0.0002                 0.0045
 Beta2  Fr= 1--      0.4248                 0.0060                 0.0133
 AlphaG Fr= 1--      0.0005                -0.0019                -0.0022
 Gamma2 Fr= 1--      0.6260                 0.0772                -0.0390
 Delta2 Fr= 1--     -0.2257                 0.0271                -0.0014
 Raman1 Fr= 1--      14.980                  0.212                  1.183
 ROA1   Fr= 1--      52.878                  8.277                 -3.790
 CID1   Fr= 1--       3.530                 38.982                 -3.203
 Raman2 Fr= 1--       5.097                  0.072                  0.159
 ROA2   Fr= 1--      16.830                  1.635                 -0.926
 CID2   Fr= 1--       3.302                 22.621                 -5.808
 Raman3 Fr= 1--      10.194                  0.145                  0.319
 ROA3   Fr= 1--      52.878                  8.277                 -3.790
 CID3   Fr= 1--       5.187                 57.248                -11.888
 RC180  Fr= 1--       0.361                  0.362                 -0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.08     0.02   0.00  -0.02     0.00  -0.01   0.00
     2   6     0.02   0.20   0.15    -0.01   0.00   0.01     0.00   0.04   0.02
     3   6    -0.05  -0.14  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.06   0.03    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6     0.02  -0.08  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     7   6     0.01   0.03   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
     8   6    -0.01  -0.04  -0.05     0.00  -0.00  -0.01    -0.02  -0.13  -0.06
     9   8    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    10   6     0.03   0.01   0.02    -0.10   0.02   0.04    -0.02   0.01   0.01
    11   6     0.02   0.01   0.03    -0.00  -0.05   0.08    -0.00   0.02  -0.03
    12   1     0.26   0.62  -0.11     0.03   0.01   0.01     0.00   0.01  -0.01
    13   1     0.15   0.43  -0.05    -0.02   0.01   0.04    -0.00  -0.01  -0.00
    14   1    -0.01   0.01  -0.02    -0.03  -0.02   0.02    -0.01  -0.01  -0.01
    15   1     0.04   0.03   0.05     0.01  -0.03  -0.01    -0.00  -0.01  -0.01
    16   1     0.05  -0.04   0.00    -0.02   0.04   0.00     0.00  -0.03  -0.00
    17   1    -0.06  -0.02  -0.02    -0.03  -0.00   0.06     0.00  -0.00  -0.02
    18   1    -0.10   0.23  -0.11     0.01   0.01  -0.02    -0.00  -0.01  -0.00
    19   1    -0.05  -0.15   0.02    -0.03   0.01   0.04    -0.14   0.54   0.12
    20   1    -0.01  -0.04  -0.04    -0.02   0.01   0.00     0.07   0.34   0.36
    21   1    -0.02  -0.18   0.02     0.02   0.01   0.02     0.31   0.43   0.13
    22   1    -0.12  -0.05  -0.03     0.37  -0.16   0.01     0.07  -0.03  -0.00
    23   1    -0.13   0.00  -0.07     0.42   0.09  -0.11     0.10   0.02   0.01
    24   1     0.03   0.02   0.00     0.30  -0.18  -0.29     0.07  -0.08  -0.06
    25   1    -0.03  -0.05  -0.07    -0.13   0.19  -0.25     0.04  -0.07   0.09
    26   1     0.00  -0.01   0.04     0.11   0.28  -0.22    -0.02  -0.15   0.08
    27   1    -0.08   0.01  -0.08     0.01   0.05  -0.37     0.03  -0.01   0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1430.9992              1462.3304              1485.5140
 Red. masses --      1.2098                 1.0861                 1.0531
 Frc consts  --      1.4596                 1.3684                 1.3692
 IR Inten    --     11.1322                12.1873                 3.9119
 RamAct Fr= 1--      0.2810                 7.4404                 2.4091
  Dep-P Fr= 1--      0.2425                 0.6589                 0.7487
  Dep-U Fr= 1--      0.3903                 0.7944                 0.8563
 Alpha2 Fr= 1--      0.0034                 0.0121                 0.0001
 Beta2  Fr= 1--      0.0183                 0.9851                 0.3438
 AlphaG Fr= 1--     -0.0092                 0.0195                 0.0011
 Gamma2 Fr= 1--     -0.0454                 1.0675                 0.5936
 Delta2 Fr= 1--      0.0131                 0.8805                 0.0528
 Raman1 Fr= 1--       1.124                 29.762                  9.636
 ROA1   Fr= 1--      -3.942                130.650                 58.677
 CID1   Fr= 1--      -3.506                  4.390                  6.089
 Raman2 Fr= 1--       0.219                 11.822                  4.126
 ROA2   Fr= 1--      -1.196                 18.575                 13.825
 CID2   Fr= 1--      -5.451                  1.571                  3.351
 Raman3 Fr= 1--       0.439                 23.643                  8.252
 ROA3   Fr= 1--      -3.942                130.650                 58.677
 CID3   Fr= 1--      -8.984                  5.526                  7.111
 RC180  Fr= 1--      -0.219                  0.589                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     2   6     0.00  -0.00   0.01    -0.00   0.01   0.01    -0.00  -0.00   0.01
     3   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
     4   6     0.00   0.01  -0.00     0.01   0.02   0.00    -0.01  -0.01   0.00
     5   6     0.01  -0.01   0.00    -0.01  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.00  -0.00  -0.00
     8   6     0.00   0.04   0.01    -0.00   0.00   0.00    -0.00  -0.01   0.02
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.08   0.02   0.03    -0.00   0.00   0.01    -0.00  -0.03   0.01
    11   6    -0.00   0.05  -0.08    -0.01   0.00  -0.02    -0.01   0.02   0.01
    12   1     0.04   0.01   0.03     0.01   0.01   0.01     0.20  -0.03   0.18
    13   1    -0.01   0.04   0.03    -0.00   0.01   0.01    -0.12   0.09   0.25
    14   1    -0.03  -0.01  -0.01    -0.11  -0.06   0.02     0.10   0.06  -0.05
    15   1     0.01  -0.02   0.01     0.03  -0.12  -0.01    -0.03   0.12  -0.02
    16   1     0.07  -0.09  -0.00    -0.36   0.54   0.03    -0.03   0.03   0.00
    17   1     0.01  -0.01  -0.12    -0.18   0.02   0.63    -0.01   0.00   0.04
    18   1    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.00   0.01  -0.01
    19   1     0.04  -0.15  -0.04     0.01  -0.01  -0.02     0.15   0.01  -0.22
    20   1     0.02  -0.12  -0.12     0.02  -0.00  -0.00     0.04   0.13   0.14
    21   1    -0.09  -0.17  -0.01    -0.02  -0.03  -0.01    -0.14   0.04  -0.21
    22   1     0.30  -0.12   0.00     0.01  -0.06  -0.03     0.29   0.19   0.16
    23   1     0.34   0.07  -0.06     0.01   0.02  -0.08    -0.26  -0.05  -0.01
    24   1     0.24  -0.16  -0.23    -0.01   0.01   0.01     0.06   0.37  -0.25
    25   1     0.13  -0.23   0.26     0.06   0.11   0.11    -0.12  -0.09  -0.22
    26   1    -0.09  -0.34   0.22    -0.06  -0.13   0.11     0.23  -0.16  -0.15
    27   1     0.01  -0.05   0.42     0.16   0.02   0.04     0.07  -0.00   0.16
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1489.5300              1493.7232              1498.9674
 Red. masses --      1.0481                 1.0511                 1.0556
 Frc consts  --      1.3700                 1.3817                 1.3975
 IR Inten    --      6.7730                 5.9657                 4.0733
 RamAct Fr= 1--      8.1171                 3.9627                 1.6015
  Dep-P Fr= 1--      0.7375                 0.6897                 0.7447
  Dep-U Fr= 1--      0.8490                 0.8163                 0.8537
 Alpha2 Fr= 1--      0.0017                 0.0042                 0.0001
 Beta2  Fr= 1--      1.1485                 0.5391                 0.2279
 AlphaG Fr= 1--      0.0062                 0.0045                -0.0014
 Gamma2 Fr= 1--     -2.1521                 0.5804                -1.8835
 Delta2 Fr= 1--     -0.8339                 0.1736                -0.7304
 Raman1 Fr= 1--      32.468                 15.851                  6.406
 ROA1   Fr= 1--    -233.287                 61.274               -204.192
 CID1   Fr= 1--      -7.185                  3.866                -31.875
 Raman2 Fr= 1--      13.782                  6.470                  2.734
 ROA2   Fr= 1--     -44.979                 12.541                -39.362
 CID2   Fr= 1--      -3.264                  1.938                -14.396
 Raman3 Fr= 1--      27.564                 12.939                  5.469
 ROA3   Fr= 1--    -233.287                 61.274               -204.192
 CID3   Fr= 1--      -8.463                  4.735                -37.339
 RC180  Fr= 1--       0.698                  0.633                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.01
     2   6    -0.00   0.00  -0.02    -0.02   0.00  -0.01    -0.02   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.01  -0.03
     4   6    -0.00  -0.01   0.00     0.01   0.01  -0.01    -0.01  -0.03   0.01
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.01   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.04   0.02  -0.01    -0.03  -0.00   0.01
     9   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.03     0.01   0.00   0.02    -0.00   0.01  -0.02
    11   6     0.01   0.02   0.01    -0.02   0.00   0.01     0.01  -0.02  -0.01
    12   1     0.04  -0.01   0.05    -0.06   0.02  -0.06     0.20  -0.02   0.17
    13   1    -0.03   0.01   0.06     0.02  -0.05  -0.06    -0.11   0.06   0.24
    14   1     0.10   0.05  -0.05    -0.10  -0.05   0.05     0.23   0.12  -0.10
    15   1    -0.03   0.11  -0.01     0.03  -0.10   0.02    -0.08   0.26  -0.04
    16   1    -0.08   0.12   0.01     0.04  -0.06  -0.00    -0.01   0.02   0.00
    17   1    -0.04   0.01   0.13     0.03   0.00  -0.06    -0.01  -0.00   0.03
    18   1    -0.01  -0.00  -0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    19   1    -0.24   0.04   0.33     0.01   0.33  -0.06     0.16   0.23  -0.26
    20   1     0.01  -0.23  -0.23     0.51  -0.17  -0.07     0.39   0.00   0.08
    21   1     0.24  -0.11   0.38     0.06  -0.36   0.31    -0.11  -0.22   0.00
    22   1     0.01   0.31   0.16     0.02  -0.17  -0.08    -0.16   0.10   0.01
    23   1    -0.02  -0.06   0.33    -0.06   0.03  -0.23     0.14  -0.02   0.25
    24   1     0.11  -0.04  -0.13    -0.09   0.11   0.06     0.05  -0.25   0.05
    25   1    -0.06  -0.27  -0.11    -0.10   0.08  -0.18     0.10   0.11   0.18
    26   1     0.11   0.04  -0.11     0.19  -0.18  -0.11    -0.19   0.14   0.13
    27   1    -0.21  -0.05   0.11     0.21   0.03   0.10    -0.03   0.01  -0.17
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1504.1911              1513.6522              1518.6476
 Red. masses --      1.0554                 1.0668                 1.0677
 Frc consts  --      1.4069                 1.4401                 1.4508
 IR Inten    --      3.8045                 0.4354                 6.1576
 RamAct Fr= 1--      2.0013                 4.8939                 1.5487
  Dep-P Fr= 1--      0.7449                 0.6577                 0.7023
  Dep-U Fr= 1--      0.8538                 0.7935                 0.8251
 Alpha2 Fr= 1--      0.0002                 0.0081                 0.0013
 Beta2  Fr= 1--      0.2848                 0.6472                 0.2130
 AlphaG Fr= 1--      0.0042                -0.0111                 0.0063
 Gamma2 Fr= 1--      0.1478                 1.2253                 0.6184
 Delta2 Fr= 1--      0.0305                 0.5839                 0.3054
 Raman1 Fr= 1--       8.005                 19.575                  6.195
 ROA1   Fr= 1--      15.164                136.316                 69.139
 CID1   Fr= 1--       1.894                  6.964                 11.161
 Raman2 Fr= 1--       3.418                  7.767                  2.556
 ROA2   Fr= 1--       3.303                 24.736                 12.398
 CID2   Fr= 1--       0.966                  3.185                  4.851
 Raman3 Fr= 1--       6.835                 15.534                  5.111
 ROA3   Fr= 1--      15.164                136.316                 69.139
 CID3   Fr= 1--       2.219                  8.776                 13.527
 RC180  Fr= 1--       0.708                  0.587                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.01    -0.03   0.02  -0.01     0.01   0.03   0.01
     2   6     0.01  -0.00  -0.02     0.01   0.00   0.00     0.00  -0.01  -0.01
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00   0.01    -0.01  -0.00  -0.05
     4   6    -0.01  -0.01  -0.00    -0.01  -0.03   0.01     0.00   0.01  -0.01
     5   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.02     0.01   0.00  -0.00     0.01   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01   0.02     0.01   0.01  -0.02     0.01   0.02   0.01
    11   6    -0.01  -0.02  -0.02    -0.04  -0.00   0.02     0.01   0.02   0.01
    12   1     0.20  -0.06   0.20    -0.02   0.00  -0.01     0.31  -0.08   0.29
    13   1    -0.11   0.09   0.25     0.02   0.00  -0.03    -0.18   0.12   0.38
    14   1     0.13   0.07  -0.05     0.21   0.11  -0.10    -0.09  -0.04   0.04
    15   1    -0.04   0.16  -0.02    -0.07   0.24  -0.05     0.03  -0.10   0.01
    16   1     0.05  -0.07  -0.01    -0.00  -0.03  -0.00    -0.01   0.03   0.00
    17   1     0.02  -0.00  -0.08    -0.00  -0.01  -0.01    -0.01  -0.00   0.02
    18   1     0.01   0.00  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
    19   1    -0.19  -0.05   0.28    -0.04  -0.13   0.07    -0.03  -0.03   0.05
    20   1    -0.14  -0.12  -0.15    -0.17   0.00  -0.03    -0.08   0.01  -0.01
    21   1     0.18   0.04   0.21     0.01   0.09  -0.04     0.03   0.06  -0.00
    22   1     0.15  -0.12  -0.03    -0.22   0.01  -0.05    -0.22  -0.30  -0.20
    23   1    -0.17   0.01  -0.25     0.19   0.00   0.16     0.14   0.06  -0.21
    24   1    -0.06   0.25  -0.04     0.02  -0.29   0.12    -0.15  -0.17   0.27
    25   1     0.11   0.32   0.20    -0.12   0.27  -0.23    -0.08  -0.27  -0.14
    26   1    -0.19  -0.02   0.18     0.24  -0.37  -0.08     0.14   0.04  -0.15
    27   1     0.24   0.07  -0.16     0.47   0.07   0.16    -0.20  -0.06   0.14
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1527.4122              1817.0273              3033.6406
 Red. masses --      1.0784                12.5045                 1.0390
 Frc consts  --      1.4823                24.3243                 5.6335
 IR Inten    --      6.1613               250.4366                12.7168
 RamAct Fr= 1--      5.1148                20.7509                 7.0329
  Dep-P Fr= 1--      0.6448                 0.4798                 0.7254
  Dep-U Fr= 1--      0.7840                 0.6484                 0.8408
 Alpha2 Fr= 1--      0.0097                 0.1123                 0.0030
 Beta2  Fr= 1--      0.6684                 2.2426                 0.9856
 AlphaG Fr= 1--      0.0031                 0.1081                -0.0163
 Gamma2 Fr= 1--     -1.3949                 0.8133                 1.3856
 Delta2 Fr= 1--     -0.6171                 1.0235                 0.4682
 Raman1 Fr= 1--      20.459                 83.003                 28.132
 ROA1   Fr= 1--    -153.655                110.830                147.998
 CID1   Fr= 1--      -7.510                  1.335                  5.261
 Raman2 Fr= 1--       8.020                 26.912                 11.827
 ROA2   Fr= 1--     -28.539                 11.331                 29.508
 CID2   Fr= 1--      -3.558                  0.421                  2.495
 Raman3 Fr= 1--      16.041                 53.823                 23.654
 ROA3   Fr= 1--    -153.655                110.830                147.998
 CID3   Fr= 1--      -9.579                  2.059                  6.257
 RC180  Fr= 1--       0.568                  0.297                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.03    -0.01  -0.01   0.01    -0.00   0.00   0.00
     4   6    -0.02  -0.05   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.01  -0.01    -0.02  -0.01  -0.01     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.77   0.26  -0.01     0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.01    -0.04  -0.01   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     9   8     0.00   0.00   0.00    -0.50  -0.17   0.01     0.00  -0.00   0.00
    10   6    -0.00   0.01   0.03     0.00  -0.00   0.00     0.04  -0.01   0.00
    11   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.03
    12   1    -0.16   0.03  -0.15    -0.03   0.06  -0.04     0.01  -0.01  -0.01
    13   1     0.09  -0.07  -0.20     0.04   0.02  -0.04    -0.01   0.00  -0.01
    14   1     0.41   0.21  -0.20     0.01   0.01   0.01    -0.01   0.01  -0.00
    15   1    -0.15   0.48  -0.08    -0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.07   0.09   0.00     0.05   0.07   0.02     0.00   0.01  -0.04
    17   1    -0.04  -0.00   0.11     0.08   0.06   0.04     0.01  -0.01   0.00
    18   1    -0.01  -0.02   0.01    -0.04  -0.02  -0.01     0.00   0.00   0.00
    19   1     0.01   0.01  -0.02     0.05  -0.01  -0.03    -0.01  -0.00  -0.01
    20   1     0.01   0.01   0.01     0.04  -0.01  -0.03     0.00   0.00  -0.00
    21   1    -0.01  -0.00  -0.01    -0.06  -0.10  -0.03     0.02  -0.01  -0.02
    22   1     0.08  -0.28  -0.12    -0.00   0.00   0.00    -0.02  -0.11   0.21
    23   1     0.00   0.06  -0.33     0.00   0.00   0.00    -0.04   0.41   0.06
    24   1    -0.08   0.10   0.06     0.01  -0.00  -0.01    -0.36  -0.16  -0.33
    25   1    -0.01  -0.22  -0.02     0.01   0.03   0.00    -0.27   0.02   0.12
    26   1     0.02   0.09  -0.06    -0.02  -0.02   0.02     0.34   0.17   0.33
    27   1    -0.22  -0.05   0.06     0.02   0.00   0.00     0.08  -0.39  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3037.2951              3040.4579              3056.8487
 Red. masses --      1.0368                 1.0381                 1.0593
 Frc consts  --      5.6353                 5.6540                 5.8321
 IR Inten    --     20.1726                40.3743                25.9292
 RamAct Fr= 1--     10.7632               367.3873                66.2204
  Dep-P Fr= 1--      0.6078                 0.0127                 0.3262
  Dep-U Fr= 1--      0.7561                 0.0250                 0.4920
 Alpha2 Fr= 1--      0.0282                 7.9258                 0.6269
 Beta2  Fr= 1--      1.3563                 1.5324                 5.4298
 AlphaG Fr= 1--      0.0278                 0.3449                -0.4448
 Gamma2 Fr= 1--      1.9005                 0.2178                 3.1201
 Delta2 Fr= 1--      0.9921                -1.2530                -3.4869
 Raman1 Fr= 1--      43.053               1469.549                264.881
 ROA1   Fr= 1--     214.195                -19.187                187.953
 CID1   Fr= 1--       4.975                 -0.013                  0.710
 Raman2 Fr= 1--      16.276                 18.389                 65.158
 ROA2   Fr= 1--      37.675                 15.251                102.778
 CID2   Fr= 1--       2.315                  0.829                  1.577
 Raman3 Fr= 1--      32.551                 36.779                130.316
 ROA3   Fr= 1--     214.195                -19.187                187.953
 CID3   Fr= 1--       6.580                 -0.522                  1.442
 RC180  Fr= 1--       0.512                 -0.950                 -0.016
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.06
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.03   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.04   0.02     0.00   0.03   0.01    -0.00  -0.00  -0.00
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.02  -0.01   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6     0.01  -0.01   0.02    -0.01   0.01  -0.02    -0.00   0.00   0.00
    12   1    -0.02   0.01   0.02    -0.05   0.03   0.05    -0.39   0.22   0.42
    13   1     0.02  -0.01   0.01     0.05  -0.01   0.02     0.51  -0.16   0.25
    14   1    -0.01   0.01  -0.00     0.01  -0.01   0.00    -0.22   0.33  -0.03
    15   1     0.02   0.00  -0.01    -0.02  -0.00   0.01     0.29   0.05  -0.10
    16   1    -0.00  -0.00   0.03     0.00   0.01  -0.04    -0.00  -0.00   0.01
    17   1    -0.01   0.01  -0.00     0.01  -0.02   0.01     0.01  -0.03   0.01
    18   1     0.01   0.01   0.01    -0.02  -0.01  -0.02    -0.03  -0.03  -0.03
    19   1    -0.33   0.00  -0.22    -0.28   0.00  -0.18     0.03   0.00   0.02
    20   1    -0.06  -0.27   0.32    -0.04  -0.22   0.26     0.01   0.03  -0.04
    21   1     0.39  -0.14  -0.28     0.32  -0.12  -0.23    -0.03   0.01   0.02
    22   1    -0.02  -0.07   0.13     0.02   0.09  -0.17    -0.00  -0.00   0.00
    23   1    -0.03   0.26   0.04     0.03  -0.30  -0.05    -0.00   0.02   0.00
    24   1    -0.22  -0.10  -0.20     0.30   0.13   0.27    -0.02  -0.01  -0.01
    25   1     0.18  -0.01  -0.08    -0.22   0.02   0.10     0.01  -0.00  -0.00
    26   1    -0.21  -0.11  -0.21     0.26   0.13   0.25    -0.01  -0.00  -0.01
    27   1    -0.05   0.26   0.05     0.05  -0.27  -0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3063.1629              3065.3348              3084.3553
 Red. masses --      1.0612                 1.0625                 1.1007
 Frc consts  --      5.8665                 5.8822                 6.1693
 IR Inten    --     14.2941                29.8651                 9.9683
 RamAct Fr= 1--     56.3078               234.3890                84.2448
  Dep-P Fr= 1--      0.1996                 0.0513                 0.1895
  Dep-U Fr= 1--      0.3328                 0.0975                 0.3186
 Alpha2 Fr= 1--      0.7654                 4.6159                 1.1761
 Beta2  Fr= 1--      3.1233                 3.8105                 4.4741
 AlphaG Fr= 1--      0.1128                -0.6870                -0.6512
 Gamma2 Fr= 1--     -2.7783                -5.7089               -14.6420
 Delta2 Fr= 1--     -3.3933                -0.8456               -10.5625
 Raman1 Fr= 1--     225.231                937.556                336.979
 ROA1   Fr= 1--    -375.299               -575.116              -1743.631
 CID1   Fr= 1--      -1.666                 -0.613                 -5.174
 Raman2 Fr= 1--      37.479                 45.727                 53.689
 ROA2   Fr= 1--     -39.532               -130.250               -266.908
 CID2   Fr= 1--      -1.055                 -2.848                 -4.971
 Raman3 Fr= 1--      74.958                 91.453                107.377
 ROA3   Fr= 1--    -375.299               -575.116              -1743.631
 CID3   Fr= 1--      -5.007                 -6.289                -16.238
 RC180  Fr= 1--      -0.334                 -0.805                 -0.363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.01     0.00   0.01   0.03    -0.05   0.02   0.01
     4   6    -0.00   0.02  -0.00    -0.01  -0.05   0.02     0.05  -0.02  -0.01
     5   6     0.01   0.01   0.01     0.02   0.01   0.01    -0.03  -0.02  -0.03
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.03  -0.04  -0.04     0.01  -0.01  -0.01     0.01  -0.01  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1    -0.08   0.04   0.08     0.24  -0.14  -0.26     0.27  -0.16  -0.32
    13   1     0.07  -0.02   0.03    -0.26   0.08  -0.12     0.37  -0.11   0.20
    14   1     0.11  -0.18   0.01    -0.34   0.51  -0.04    -0.21   0.34  -0.04
    15   1    -0.09  -0.01   0.03     0.46   0.08  -0.16    -0.34  -0.07   0.12
    16   1    -0.05  -0.12   0.60    -0.02  -0.03   0.17    -0.01  -0.02   0.08
    17   1    -0.35   0.60  -0.17    -0.06   0.11  -0.03    -0.07   0.12  -0.03
    18   1    -0.09  -0.07  -0.09    -0.18  -0.14  -0.17     0.32   0.25   0.31
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.03   0.00  -0.02
    20   1     0.00   0.00  -0.00    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.00  -0.00  -0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
    22   1     0.00   0.00  -0.01    -0.01  -0.02   0.03     0.00   0.01  -0.01
    23   1    -0.00   0.01   0.00     0.00  -0.02  -0.01    -0.00   0.02   0.00
    24   1    -0.00  -0.00  -0.00     0.05   0.02   0.04     0.03   0.01   0.02
    25   1     0.04  -0.00  -0.02     0.01  -0.00  -0.01    -0.01   0.00   0.01
    26   1     0.05   0.03   0.05     0.02   0.01   0.02    -0.03  -0.01  -0.03
    27   1     0.01  -0.04  -0.01    -0.00  -0.01  -0.00     0.02  -0.08  -0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3084.5337              3087.8871              3091.7323
 Red. masses --      1.1005                 1.0917                 1.0996
 Frc consts  --      6.1693                 6.1329                 6.1926
 IR Inten    --      2.0292                24.8164                53.5781
 RamAct Fr= 1--     15.6200               189.5009               100.9356
  Dep-P Fr= 1--      0.5452                 0.1011                 0.7460
  Dep-U Fr= 1--      0.7057                 0.1836                 0.8545
 Alpha2 Fr= 1--      0.0613                 3.3093                 0.0069
 Beta2  Fr= 1--      1.8372                 5.7978                14.3748
 AlphaG Fr= 1--     -0.0098                 1.3411                -0.0420
 Gamma2 Fr= 1--     -1.3712                28.3317                -2.2895
 Delta2 Fr= 1--     -2.8480                12.9964                 0.5069
 Raman1 Fr= 1--      62.480                758.004                403.742
 ROA1   Fr= 1--    -222.772               3135.727               -203.573
 CID1   Fr= 1--      -3.565                  4.137                 -0.504
 Raman2 Fr= 1--      22.046                 69.574                172.498
 ROA2   Fr= 1--     -10.125                575.990                -59.004
 CID2   Fr= 1--      -0.459                  8.279                 -0.342
 Raman3 Fr= 1--      44.092                139.147                344.996
 ROA3   Fr= 1--    -222.772               3135.727               -203.573
 CID3   Fr= 1--      -5.052                 22.535                 -0.590
 RC180  Fr= 1--       0.411                 -0.633                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.04  -0.02  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.03  -0.01   0.01     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.04  -0.03  -0.04    -0.01  -0.00  -0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     8   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.02  -0.06  -0.04    -0.00   0.00  -0.00    -0.01  -0.04  -0.02
    11   6     0.01   0.04   0.02     0.00   0.01   0.00    -0.03  -0.06  -0.04
    12   1    -0.02   0.01   0.02    -0.16   0.09   0.19    -0.00   0.00   0.00
    13   1    -0.02   0.01  -0.01    -0.33   0.10  -0.17     0.01  -0.00   0.00
    14   1     0.02  -0.03   0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    15   1     0.00   0.00  -0.00     0.34   0.06  -0.12     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.01  -0.02   0.00    -0.10   0.17  -0.04     0.01  -0.01   0.00
    18   1    -0.04  -0.03  -0.04     0.48   0.37   0.47     0.07   0.06   0.07
    19   1     0.03  -0.00   0.02    -0.01  -0.00  -0.00     0.08   0.00   0.05
    20   1     0.01   0.07  -0.08     0.00   0.02  -0.02    -0.01  -0.05   0.05
    21   1     0.07  -0.03  -0.05     0.03  -0.01  -0.02    -0.02   0.01   0.01
    22   1    -0.01  -0.05   0.05    -0.00   0.00  -0.00    -0.01  -0.03   0.04
    23   1    -0.08   0.64   0.09     0.01  -0.04  -0.01    -0.05   0.38   0.05
    24   1     0.39   0.15   0.34     0.01   0.00   0.01     0.23   0.09   0.20
    25   1    -0.02   0.01   0.02    -0.03   0.00   0.02     0.07  -0.02  -0.04
    26   1    -0.22  -0.10  -0.21    -0.03  -0.01  -0.03     0.37   0.17   0.36
    27   1     0.08  -0.36  -0.07     0.02  -0.07  -0.01    -0.13   0.61   0.12
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3098.4690              3100.5104              3103.7955
 Red. masses --      1.1038                 1.1016                 1.1014
 Frc consts  --      6.2437                 6.2392                 6.2514
 IR Inten    --      2.0379                14.7789                 9.8439
 RamAct Fr= 1--     37.1379                65.2350                74.3493
  Dep-P Fr= 1--      0.7363                 0.6880                 0.7414
  Dep-U Fr= 1--      0.8481                 0.8152                 0.8515
 Alpha2 Fr= 1--      0.0087                 0.0710                 0.0109
 Beta2  Fr= 1--      5.2496                 8.8628                10.5515
 AlphaG Fr= 1--     -0.0611                -0.1033                -0.0748
 Gamma2 Fr= 1--    -14.1185               -17.0131                16.5149
 Delta2 Fr= 1--      1.7461                -5.0097                 8.9525
 Raman1 Fr= 1--     148.551                260.940                297.397
 ROA1   Fr= 1--   -1299.504              -1793.566               1871.907
 CID1   Fr= 1--      -8.748                 -6.873                  6.294
 Raman2 Fr= 1--      62.996                106.353                126.618
 ROA2   Fr= 1--    -352.813               -368.237                324.737
 CID2   Fr= 1--      -5.601                 -3.462                  2.565
 Raman3 Fr= 1--     125.991                212.707                253.235
 ROA3   Fr= 1--   -1299.504              -1793.566               1871.907
 CID3   Fr= 1--     -10.314                 -8.432                  7.392
 RC180  Fr= 1--       0.696                  0.630                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.01  -0.00
     4   6     0.03  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.01  -0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.02   0.05  -0.06     0.00  -0.01   0.02     0.00  -0.00   0.00
     8   6    -0.01  -0.00   0.02    -0.08  -0.01   0.04    -0.04   0.03  -0.07
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00   0.01     0.00   0.01   0.01     0.00  -0.00   0.01
    11   6    -0.03   0.01   0.01     0.01  -0.01  -0.01     0.01   0.01   0.00
    12   1    -0.10   0.06   0.12     0.01  -0.00  -0.01    -0.08   0.05   0.10
    13   1    -0.18   0.05  -0.09     0.01  -0.00   0.01    -0.11   0.03  -0.06
    14   1    -0.09   0.15  -0.01    -0.03   0.05  -0.01    -0.08   0.13  -0.01
    15   1    -0.22  -0.05   0.08    -0.07  -0.01   0.02    -0.16  -0.03   0.06
    16   1    -0.06  -0.10   0.59     0.02   0.03  -0.18     0.00   0.00  -0.01
    17   1     0.26  -0.45   0.10    -0.08   0.14  -0.03    -0.01   0.02  -0.01
    18   1     0.05   0.04   0.05    -0.03  -0.02  -0.03    -0.02  -0.01  -0.01
    19   1     0.02  -0.00   0.02     0.32   0.00   0.24     0.58   0.01   0.38
    20   1     0.02   0.11  -0.12     0.05   0.32  -0.36    -0.09  -0.41   0.47
    21   1     0.13  -0.05  -0.09     0.55  -0.22  -0.40    -0.00   0.00  -0.02
    22   1     0.01   0.04  -0.08     0.00   0.01  -0.02     0.01   0.03  -0.06
    23   1     0.00  -0.02  -0.00     0.01  -0.08  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01  -0.03    -0.04  -0.02  -0.04    -0.02  -0.01  -0.02
    25   1     0.28  -0.02  -0.13    -0.08   0.00   0.03    -0.06   0.01   0.03
    26   1     0.07   0.04   0.08     0.01   0.00   0.01    -0.06  -0.03  -0.06
    27   1     0.01  -0.11  -0.02    -0.02   0.11   0.02     0.02  -0.07  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3105.3045              3113.1033              3127.4724
 Red. masses --      1.1041                 1.0986                 1.0960
 Frc consts  --      6.2730                 6.2728                 6.3158
 IR Inten    --     70.7487                20.2371                26.3282
 RamAct Fr= 1--     73.2065                48.9722                53.0395
  Dep-P Fr= 1--      0.7388                 0.6410                 0.5296
  Dep-U Fr= 1--      0.8498                 0.7812                 0.6925
 Alpha2 Fr= 1--      0.0140                 0.0964                 0.2264
 Beta2  Fr= 1--     10.3683                 6.3764                 6.1216
 AlphaG Fr= 1--     -0.0359                -0.1689                -0.1279
 Gamma2 Fr= 1--    -12.5520                22.4339                -2.6204
 Delta2 Fr= 1--     -7.1263                 7.0028                 0.2209
 Raman1 Fr= 1--     292.826                195.889                212.158
 ROA1   Fr= 1--   -1433.036               2377.742               -244.485
 CID1   Fr= 1--      -4.894                 12.138                 -1.152
 Raman2 Fr= 1--     124.419                 76.517                 73.460
 ROA2   Fr= 1--    -244.238                482.390                -64.656
 CID2   Fr= 1--      -1.963                  6.304                 -0.880
 Raman3 Fr= 1--     248.838                153.034                146.920
 ROA3   Fr= 1--   -1433.036               2377.742               -244.485
 CID3   Fr= 1--      -5.759                 15.537                 -1.664
 RC180  Fr= 1--       0.700                  0.562                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.04   0.02   0.01    -0.00   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.06   0.02   0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.01  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.01   0.02  -0.02     0.00  -0.02   0.03    -0.00   0.00  -0.00
     8   6    -0.03   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.05  -0.07
    11   6    -0.01   0.01   0.00    -0.08   0.02   0.02    -0.00   0.00   0.00
    12   1     0.21  -0.12  -0.24     0.00  -0.00  -0.01    -0.06   0.04   0.07
    13   1     0.32  -0.10   0.17     0.01  -0.00   0.00    -0.05   0.01  -0.02
    14   1     0.22  -0.36   0.04    -0.00   0.00  -0.00    -0.03   0.05  -0.01
    15   1     0.47   0.10  -0.17     0.00   0.00  -0.00    -0.14  -0.03   0.05
    16   1    -0.03  -0.04   0.24     0.03   0.06  -0.34    -0.00  -0.00   0.00
    17   1     0.12  -0.20   0.05    -0.09   0.16  -0.04     0.00  -0.00   0.00
    18   1     0.08   0.06   0.08    -0.02  -0.01  -0.01    -0.01  -0.00  -0.01
    19   1     0.24   0.01   0.16     0.02   0.00   0.02     0.01   0.00   0.01
    20   1    -0.02  -0.08   0.09    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.11  -0.04  -0.09     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    22   1    -0.02  -0.06   0.12     0.00   0.01  -0.02    -0.12  -0.43   0.80
    23   1     0.01  -0.08  -0.02     0.00  -0.01  -0.00     0.03  -0.25  -0.06
    24   1     0.02   0.01   0.01    -0.00  -0.00  -0.00     0.14   0.07   0.11
    25   1     0.10  -0.01  -0.05     0.75  -0.05  -0.35     0.01  -0.00  -0.01
    26   1     0.01   0.01   0.01     0.15   0.09   0.17    -0.00   0.00   0.00
    27   1     0.01  -0.08  -0.01     0.04  -0.28  -0.05     0.00  -0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1242.481721522.918951641.96827
           X            0.99901  -0.04146   0.01640
           Y            0.04144   0.99914   0.00175
           Z           -0.01646  -0.00107   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06971     0.05687     0.05275
 Rotational constants (GHZ):           1.45253     1.18505     1.09913
 Zero-point vibrational energy     632116.4 (Joules/Mol)
                                  151.07944 (Kcal/Mol)
 Warning -- explicit consideration of  17 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    155.18   242.92   263.98   312.66   323.48
          (Kelvin)            347.99   377.51   417.28   432.82   553.53
                              568.47   598.46   685.53   755.38   806.66
                              829.03   891.38   938.85  1027.76  1087.79
                             1203.12  1241.97  1256.91  1333.29  1358.61
                             1363.64  1381.63  1390.23  1443.05  1485.56
                             1495.93  1521.38  1585.82  1612.14  1655.56
                             1688.21  1715.00  1753.43  1767.28  1796.29
                             1824.67  1835.19  1874.14  1911.03  1921.81
                             1942.56  2028.05  2038.17  2058.89  2103.97
                             2137.32  2143.10  2149.13  2156.68  2164.20
                             2177.81  2185.00  2197.61  2614.30  4364.73
                             4369.99  4374.54  4398.12  4407.21  4410.33
                             4437.70  4437.96  4442.78  4448.31  4458.01
                             4460.94  4465.67  4467.84  4479.06  4499.74
 
 Zero-point correction=                           0.240760 (Hartree/Particle)
 Thermal correction to Energy=                    0.251431
 Thermal correction to Enthalpy=                  0.252375
 Thermal correction to Gibbs Free Energy=         0.206095
 Sum of electronic and zero-point Energies=           -465.910956
 Sum of electronic and thermal Energies=              -465.900285
 Sum of electronic and thermal Enthalpies=            -465.899341
 Sum of electronic and thermal Free Energies=         -465.945621
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.775             43.574             97.405
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.520
 Vibrational            155.998             37.612             26.916
 Vibration     1          0.606              1.943              3.307
 Vibration     2          0.625              1.881              2.448
 Vibration     3          0.631              1.862              2.293
 Vibration     4          0.646              1.815              1.981
 Vibration     5          0.649              1.803              1.920
 Vibration     6          0.658              1.776              1.789
 Vibration     7          0.670              1.742              1.646
 Vibration     8          0.686              1.692              1.474
 Vibration     9          0.693              1.672              1.412
 Vibration    10          0.754              1.503              1.021
 Vibration    11          0.762              1.481              0.981
 Vibration    12          0.779              1.436              0.906
 Vibration    13          0.833              1.302              0.720
 Vibration    14          0.880              1.195              0.598
 Vibration    15          0.916              1.116              0.523
 Vibration    16          0.933              1.083              0.492
 Vibration    17          0.980              0.991              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.159586D-94        -94.797004       -218.278169
 Total V=0       0.881043D+16         15.944997         36.714712
 Vib (Bot)       0.342966-108       -108.464749       -249.749315
 Vib (Bot)    1  0.189984D+01          0.278717          0.641769
 Vib (Bot)    2  0.119403D+01          0.077016          0.177336
 Vib (Bot)    3  0.109338D+01          0.038772          0.089276
 Vib (Bot)    4  0.911256D+00         -0.040360         -0.092932
 Vib (Bot)    5  0.877989D+00         -0.056511         -0.130121
 Vib (Bot)    6  0.810022D+00         -0.091503         -0.210693
 Vib (Bot)    7  0.739388D+00         -0.131128         -0.301933
 Vib (Bot)    8  0.659368D+00         -0.180872         -0.416473
 Vib (Bot)    9  0.631893D+00         -0.199357         -0.459036
 Vib (Bot)   10  0.468405D+00         -0.329379         -0.758423
 Vib (Bot)   11  0.452715D+00         -0.344175         -0.792492
 Vib (Bot)   12  0.423442D+00         -0.373207         -0.859340
 Vib (Bot)   13  0.352075D+00         -0.453365         -1.043912
 Vib (Bot)   14  0.306028D+00         -0.514239         -1.184079
 Vib (Bot)   15  0.277035D+00         -0.557466         -1.283612
 Vib (Bot)   16  0.265463D+00         -0.575996         -1.326279
 Vib (Bot)   17  0.236160D+00         -0.626794         -1.443248
 Vib (V=0)       0.189344D+03          2.277252          5.243566
 Vib (V=0)    1  0.246453D+01          0.391734          0.902002
 Vib (V=0)    2  0.179449D+01          0.253942          0.584722
 Vib (V=0)    3  0.170228D+01          0.231032          0.531971
 Vib (V=0)    4  0.153942D+01          0.187356          0.431404
 Vib (V=0)    5  0.151038D+01          0.179086          0.412360
 Vib (V=0)    6  0.145191D+01          0.161940          0.372881
 Vib (V=0)    7  0.139258D+01          0.143819          0.331156
 Vib (V=0)    8  0.132751D+01          0.123037          0.283302
 Vib (V=0)    9  0.130578D+01          0.115871          0.266804
 Vib (V=0)   10  0.118513D+01          0.073766          0.169852
 Vib (V=0)   11  0.117450D+01          0.069853          0.160843
 Vib (V=0)   12  0.115521D+01          0.062662          0.144284
 Vib (V=0)   13  0.111152D+01          0.045917          0.105728
 Vib (V=0)   14  0.108622D+01          0.035918          0.082703
 Vib (V=0)   15  0.107162D+01          0.030040          0.069171
 Vib (V=0)   16  0.106610D+01          0.027798          0.064008
 Vib (V=0)   17  0.105297D+01          0.022414          0.051611
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.630974D+06          5.800011         13.355020
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000053041   -0.000024740    0.000009116
      2        6           0.000038176    0.000017183   -0.000001880
      3        6          -0.000044485   -0.000008475    0.000029904
      4        6           0.000003597   -0.000017072   -0.000001263
      5        6           0.000019569   -0.000009345   -0.000013874
      6        6          -0.000009171   -0.000018880    0.000019534
      7        6          -0.000024798    0.000021183    0.000020197
      8        6          -0.000007845    0.000002301   -0.000004714
      9        8           0.000001964   -0.000000422    0.000001435
     10        6           0.000036290    0.000028404   -0.000012594
     11        6           0.000009774   -0.000012449   -0.000010072
     12        1          -0.000017893    0.000010456   -0.000002245
     13        1          -0.000000444    0.000000879    0.000001683
     14        1          -0.000002233   -0.000003836    0.000009747
     15        1           0.000015139   -0.000008782   -0.000005708
     16        1           0.000004858    0.000007463   -0.000007006
     17        1          -0.000000158    0.000002355   -0.000001628
     18        1           0.000002348    0.000003374    0.000001667
     19        1           0.000001018    0.000000757   -0.000001537
     20        1           0.000002679   -0.000002031    0.000006031
     21        1           0.000003668   -0.000001781    0.000002187
     22        1          -0.000003981    0.000030162   -0.000010172
     23        1           0.000012706   -0.000007611   -0.000008590
     24        1          -0.000006746    0.000000813    0.000002245
     25        1           0.000018156   -0.000015419   -0.000011765
     26        1           0.000000227    0.000001199   -0.000004221
     27        1           0.000000626    0.000004314   -0.000006479
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000053041 RMS     0.000014691
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.117960D+03  0.101897D+01 -0.244087D+00
      2   0.101897D+01  0.113186D+03  0.125845D+01
      3  -0.244087D+00  0.125845D+01  0.109525D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.680317D-01 -0.443632D+01  0.182236D+01
      2   0.167742D+01 -0.390694D+01  0.205493D+02
      3   0.488330D+01 -0.168619D+02  0.446767D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.231667D+02 -0.132423D+02  0.109508D+02
      2  -0.150584D+02  0.612456D+01 -0.811431D+01
      3  -0.810829D+01  0.711772D+01 -0.283654D+01
      4  -0.177221D+02  0.323813D+02 -0.163214D+02
      5   0.790663D+01 -0.164351D+02  0.417661D+02
      6  -0.102080D+02 -0.137992D+02 -0.480637D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.137094D+01  0.142757D+01  0.530119D+01  0.998621D+00  0.242803D+01
      2   0.142757D+01  0.255617D+01  0.301898D+00  0.242803D+01 -0.562534D+01
      3   0.530119D+01  0.301898D+00  0.255415D+01  0.483195D-02 -0.145371D+01
                 6             7             8             9            10 
      1   0.483195D-02  0.627169D+01  0.490889D+00  0.202088D+01 -0.420918D+01
      2  -0.145371D+01  0.490889D+00 -0.152634D+01  0.371722D+01 -0.198786D+01
      3   0.298475D+01  0.202088D+01  0.371722D+01 -0.104359D+01 -0.397974D+01
                11            12            13            14            15 
      1  -0.198786D+01 -0.397974D+01 -0.224519D+01  0.618333D+00  0.202965D+01
      2   0.850739D+00  0.199342D+01  0.618333D+00  0.637445D+00  0.288355D+01
      3   0.199342D+01 -0.729112D+00  0.202965D+01  0.288355D+01 -0.356789D+01
                16            17            18            19            20 
      1  -0.385920D+01  0.204882D+01 -0.207162D+01  0.214397D+01 -0.364314D+00
      2   0.204882D+01  0.236583D+01 -0.268298D+01 -0.364314D+00 -0.118435D+01
      3  -0.207162D+01 -0.268298D+01 -0.136637D+01  0.383933D+01 -0.257724D+01
                21            22            23            24            25 
      1   0.383933D+01  0.516701D+00 -0.296857D+00 -0.352998D+01  0.255672D+01
      2  -0.257724D+01 -0.296857D+00  0.542589D+00 -0.246352D+01 -0.230336D+01
      3  -0.680506D+00 -0.352998D+01 -0.246352D+01  0.228797D+01 -0.204095D+00
                26            27            28            29            30 
      1  -0.230336D+01 -0.204095D+00 -0.355468D+01 -0.225026D+01  0.221718D+01
      2  -0.312442D+01  0.150369D+01 -0.225026D+01  0.371822D+01  0.907499D+00
      3   0.150369D+01  0.199386D+01  0.221718D+01  0.907499D+00 -0.227923D+00
                31            32            33            34            35 
      1  -0.949375D+00  0.303215D+01  0.909287D+00  0.192791D+01  0.103570D+01
      2   0.303215D+01 -0.319664D+01  0.182235D+01  0.103570D+01  0.153775D+01
      3   0.909287D+00  0.182235D+01  0.178519D+01  0.379828D-02  0.169201D+01
                36            37            38            39            40 
      1   0.379828D-02  0.117389D+01 -0.100374D+01 -0.378220D+01  0.109881D+00
      2   0.169201D+01 -0.100374D+01 -0.308462D+01 -0.150890D+01 -0.394141D+01
      3  -0.273337D+01 -0.378220D+01 -0.150890D+01 -0.159867D+01 -0.163089D+01
                41            42            43            44            45 
      1  -0.394141D+01 -0.163089D+01 -0.309848D+01 -0.152938D+01 -0.170571D+01
      2   0.471823D+01 -0.131768D+01 -0.152938D+01 -0.254956D+00 -0.329901D+01
      3  -0.131768D+01 -0.254210D+01 -0.170571D+01 -0.329901D+01  0.203855D+01
                46            47            48            49            50 
      1   0.812060D+01  0.308801D+01  0.117299D+00  0.281191D+01 -0.886979D+00
      2   0.308801D+01 -0.296218D+01 -0.274681D+01 -0.886979D+00 -0.629215D+00
      3   0.117299D+00 -0.274681D+01 -0.149930D+01 -0.164949D+01 -0.909278D+00
                51            52            53            54            55 
      1  -0.164949D+01  0.210901D+00 -0.129074D+01  0.266811D+00 -0.158027D+01
      2  -0.909278D+00 -0.129074D+01 -0.667512D+00  0.441318D+00 -0.948162D+00
      3   0.958953D-01  0.266811D+00  0.441318D+00  0.151704D+01  0.138918D+01
                56            57            58            59            60 
      1  -0.948162D+00  0.138918D+01 -0.151250D+01  0.343087D+01  0.916145D+00
      2   0.450274D+01  0.123099D+01  0.343087D+01 -0.296235D+01  0.144758D+01
      3   0.123099D+01  0.128877D+01  0.916145D+00  0.144758D+01  0.196861D+01
                61            62            63            64            65 
      1   0.387883D+00 -0.414767D+00  0.950899D+00  0.144933D+01  0.190084D+01
      2  -0.414767D+00  0.182960D+01  0.725961D+00  0.190084D+01 -0.317449D+00
      3   0.950899D+00  0.725961D+00 -0.524579D+01  0.457981D+01 -0.121437D+01
                66            67            68            69            70 
      1   0.457981D+01  0.132063D+01 -0.754155D+00 -0.130025D+01  0.381411D+01
      2  -0.121437D+01 -0.754155D+00 -0.593814D+00 -0.293956D+01 -0.139743D+01
      3   0.908175D+00 -0.130025D+01 -0.293956D+01  0.230629D+01  0.852096D+00
                71            72            73            74            75 
      1  -0.139743D+01  0.852096D+00 -0.163780D+02 -0.306567D+01  0.106033D+01
      2  -0.298040D+01  0.285994D+01 -0.306567D+01 -0.127521D+01  0.879659D+00
      3   0.285994D+01  0.624288D+00  0.106033D+01  0.879659D+00 -0.114357D+01
                76            77            78            79            80 
      1  -0.337625D+01 -0.345837D+01  0.492533D+00  0.405498D+00  0.185257D+00
      2  -0.345837D+01 -0.210290D+01  0.594409D+00  0.185257D+00  0.157405D+00
      3   0.492533D+00  0.594409D+00 -0.381192D+00 -0.298480D+01 -0.845037D+00
                81            82            83            84            85 
      1  -0.298480D+01 -0.473217D+00 -0.177604D+01 -0.418365D+01 -0.222787D+01
      2  -0.845037D+00 -0.177604D+01 -0.129141D+01 -0.244387D+00 -0.199440D+01
      3   0.269656D-01 -0.418365D+01 -0.244387D+00 -0.179158D+01 -0.406748D+00
                86            87            88            89            90 
      1  -0.199440D+01 -0.406748D+00 -0.487887D+01 -0.382874D+00 -0.218337D+01
      2   0.519826D+01  0.168798D+01 -0.382874D+00  0.166916D+01 -0.264424D+01
      3   0.168798D+01 -0.275386D+01 -0.218337D+01 -0.264424D+01  0.220620D+01
                91            92            93            94            95 
      1   0.182950D+01 -0.625171D+00 -0.457416D+01 -0.902188D+00 -0.170056D+01
      2  -0.625171D+00 -0.147131D+01 -0.627854D+00 -0.170056D+01  0.509006D+01
      3  -0.457416D+01 -0.627854D+00 -0.181477D+01 -0.895800D+00  0.129023D+01
                96            97            98            99           100 
      1  -0.895800D+00 -0.430542D+01 -0.785858D+00 -0.170830D+01  0.241532D+01
      2   0.129023D+01 -0.785858D+00  0.197883D+01 -0.277116D+01 -0.359826D+00
      3  -0.330428D+01 -0.170830D+01 -0.277116D+01 -0.148175D+00 -0.204394D+01
               101           102           103           104           105 
      1  -0.359826D+00 -0.204394D+01 -0.920500D+00  0.660296D+00  0.119777D+01
      2   0.112906D+01  0.619403D+00  0.660296D+00 -0.112317D+01 -0.926192D+00
      3   0.619403D+00  0.335309D+01  0.119777D+01 -0.926192D+00 -0.249730D+01
               106           107           108           109           110 
      1  -0.166755D+01  0.439788D+00  0.211420D+01 -0.437087D+01  0.976389D+00
      2   0.439788D+00 -0.822397D+00 -0.100888D+01  0.976389D+00 -0.137364D+01
      3   0.211420D+01 -0.100888D+01 -0.613693D+01 -0.333649D+01  0.126212D+01
               111           112           113           114           115 
      1  -0.333649D+01  0.797006D+00 -0.937324D+00  0.830672D+00 -0.196938D+01
      2   0.126212D+01 -0.937324D+00  0.974652D+00 -0.866346D+00  0.746855D+00
      3  -0.365342D+01  0.830672D+00 -0.866346D+00  0.803373D+00 -0.202522D+01
               116           117           118           119           120 
      1   0.746855D+00 -0.202522D+01 -0.981306D+00  0.194353D+01 -0.610253D+00
      2  -0.570403D+00  0.691763D+00  0.194353D+01 -0.373193D+01  0.696523D+00
      3   0.691763D+00 -0.372086D+01 -0.610253D+00  0.696523D+00 -0.863354D+00
               121           122           123           124           125 
      1   0.143002D+01 -0.183036D+01  0.237269D+00 -0.336150D+00  0.323827D-01
      2  -0.183036D+01  0.868794D+01 -0.167544D+01  0.323827D-01 -0.787552D+00
      3   0.237269D+00 -0.167544D+01  0.125050D+01 -0.415145D+00  0.104465D+01
               126           127           128           129           130 
      1  -0.415145D+00  0.644221D+01  0.265956D+01 -0.209976D+01  0.132367D+01
      2   0.104465D+01  0.265956D+01  0.237457D+01 -0.119793D+01  0.137484D+01
      3  -0.334013D+00 -0.209976D+01 -0.119793D+01  0.194179D+01 -0.647541D+00
               131           132           133           134           135 
      1   0.137484D+01 -0.647541D+00 -0.178143D+01 -0.861028D+00  0.148597D+01
      2   0.194440D+01 -0.850493D+00 -0.861028D+00 -0.106573D+01  0.686041D+00
      3  -0.850493D+00  0.369120D+00  0.148597D+01  0.686041D+00 -0.126574D+01
               136           137           138           139           140 
      1  -0.199885D+00  0.115759D+00  0.123622D+01 -0.382640D+00 -0.317294D+00
      2   0.115759D+00 -0.594123D+00 -0.381301D+00 -0.317294D+00  0.179140D+00
      3   0.123622D+01 -0.381301D+00 -0.129099D+01  0.149965D+00  0.823005D+00
               141           142           143           144           145 
      1   0.149965D+00  0.164439D+01 -0.209514D+00 -0.143448D+01 -0.270392D+01
      2   0.823005D+00 -0.209514D+00  0.140285D+01  0.101699D+01  0.261221D+01
      3  -0.918791D+00 -0.143448D+01  0.101699D+01  0.894302D+01  0.214658D+00
               146           147           148           149           150 
      1   0.261221D+01  0.214658D+00  0.272721D+01 -0.301063D+01 -0.476900D+00
      2  -0.352136D+01 -0.700682D+00 -0.301063D+01  0.719928D+01  0.494439D+00
      3  -0.700682D+00 -0.803581D+00 -0.476900D+00  0.494439D+00  0.100423D+01
               151           152           153           154           155 
      1  -0.774831D+00  0.523263D+00 -0.424389D+00  0.363308D+01  0.232494D+01
      2   0.523263D+00 -0.107021D+01  0.879414D+00  0.232494D+01  0.261521D+01
      3  -0.424389D+00  0.879414D+00  0.566881D+00  0.250875D+01  0.145364D+01
               156           157           158           159           160 
      1   0.250875D+01  0.143571D+01  0.211326D+01  0.902129D+00  0.233443D+01
      2   0.145364D+01  0.211326D+01  0.291629D+01  0.184401D+01  0.135440D+01
      3   0.232060D+01  0.902129D+00  0.184401D+01  0.183307D+01  0.218115D+01
               161           162           163           164           165 
      1   0.135440D+01  0.218115D+01 -0.482309D+01 -0.175068D+01 -0.321549D+01
      2   0.210946D+01  0.241934D+01 -0.175068D+01 -0.207317D+01 -0.117489D+01
      3   0.241934D+01  0.345786D+01 -0.321549D+01 -0.117489D+01 -0.306563D+01
               166           167           168           169           170 
      1  -0.502001D+00 -0.887509D+00 -0.159914D+00 -0.283077D+01 -0.782257D+00
      2  -0.887509D+00 -0.414649D+00 -0.399328D+00 -0.782257D+00 -0.946532D+00
      3  -0.159914D+00 -0.399328D+00 -0.346812D+00 -0.239533D+01 -0.149280D+01
               171           172           173           174           175 
      1  -0.239533D+01 -0.709236D+00 -0.111041D+01  0.116298D-01 -0.934690D+00
      2  -0.149280D+01 -0.111041D+01 -0.915244D+00  0.400505D+00 -0.812008D+00
      3  -0.332992D+01  0.116298D-01  0.400505D+00 -0.417230D+00  0.319357D+00
               176           177           178           179           180 
      1  -0.812008D+00  0.319357D+00  0.605643D+00  0.813488D+00 -0.332764D+00
      2  -0.535690D+01  0.200435D+01  0.813488D+00  0.417649D+01 -0.193023D+01
      3   0.200435D+01 -0.169626D+01 -0.332764D+00 -0.193023D+01  0.263119D+01
               181           182           183           184           185 
      1   0.292975D+01 -0.155140D+01 -0.208323D+01 -0.972327D+00  0.127648D+01
      2  -0.155140D+01  0.266063D+01  0.165362D+01  0.127648D+01 -0.187092D+01
      3  -0.208323D+01  0.165362D+01  0.235266D+01  0.813950D+00 -0.939090D+00
               186           187           188           189           190 
      1   0.813950D+00 -0.195300D+01  0.975953D+00  0.139008D+01  0.616023D+00
      2  -0.939090D+00  0.975953D+00 -0.164307D+01 -0.203069D+01  0.914159D+00
      3  -0.121255D+01  0.139008D+01 -0.203069D+01 -0.314694D+01 -0.104977D+01
               191           192           193           194           195 
      1   0.914159D+00 -0.104977D+01  0.184394D+01  0.240458D+00 -0.448670D+00
      2   0.211048D+00 -0.226658D+00  0.240458D+00  0.102160D+01 -0.132845D+01
      3  -0.226658D+00  0.115239D+01 -0.448670D+00 -0.132845D+01  0.184582D+01
               196           197           198           199           200 
      1  -0.220328D+01 -0.941747D-01  0.181239D+01  0.121673D+01 -0.115751D+01
      2  -0.941747D-01 -0.160477D+01  0.154431D+01 -0.115751D+01  0.112112D+01
      3   0.181239D+01  0.154431D+01 -0.491788D+01  0.552670D-01  0.242004D+00
               201           202           203           204           205 
      1   0.552670D-01 -0.282559D+01  0.276237D+01  0.557237D+00  0.872475D-01
      2   0.242004D+00  0.276237D+01 -0.714914D+01 -0.115394D+01  0.380671D+00
      3   0.348474D+00  0.557237D+00 -0.115394D+01 -0.109675D+01  0.703492D+00
               206           207           208           209           210 
      1   0.380671D+00  0.703492D+00  0.707619D+01  0.835327D+00  0.251637D+01
      2  -0.969872D+00 -0.801764D+00  0.835327D+00  0.101699D+01  0.241163D+00
      3  -0.801764D+00 -0.716670D+00  0.251637D+01  0.241163D+00  0.171491D+01
               211           212           213           214           215 
      1   0.231771D+01  0.134904D+01  0.678848D+00  0.487440D+01  0.326419D+00
      2   0.134904D+01  0.217918D+00  0.379691D+00  0.326419D+00  0.725807D+00
      3   0.678848D+00  0.379691D+00  0.902671D+00  0.241498D+01  0.572379D+00
               216           217           218           219           220 
      1   0.241498D+01 -0.446870D+01  0.128902D+00  0.210987D+01  0.332835D+00
      2   0.572379D+00  0.128902D+00 -0.143972D+01  0.946501D+00 -0.848378D+00
      3   0.211738D+01  0.210987D+01  0.946501D+00 -0.289046D+01  0.382809D+00
               221           222           223           224           225 
      1  -0.848378D+00  0.382809D+00  0.188594D+01  0.350987D+00 -0.151952D+01
      2  -0.128487D+00  0.189542D+00  0.350987D+00  0.308176D+00 -0.138079D+00
      3   0.189542D+00  0.317614D+00 -0.151952D+01 -0.138079D+00  0.264301D+01
               226           227           228           229           230 
      1   0.341299D+01  0.158811D+00  0.322164D+01  0.115498D+01  0.799927D+00
      2   0.158811D+00  0.109803D+01 -0.355088D-01  0.799927D+00  0.150895D+00
      3   0.322164D+01 -0.355088D-01  0.396026D+01  0.964475D+00  0.630296D+00
               231           232           233           234           235 
      1   0.964475D+00  0.255322D+01  0.115636D+00  0.292458D+01  0.621860D+00
      2   0.630296D+00  0.115636D+00  0.594509D+00  0.356957D+00 -0.113495D+01
      3   0.203936D+01  0.292458D+01  0.356957D+00  0.555026D+01  0.579961D+00
               236           237           238           239           240 
      1  -0.113495D+01  0.579961D+00 -0.136968D+01  0.159019D+01 -0.240734D+00
      2   0.138118D+01 -0.192419D+00  0.159019D+01 -0.832517D+01  0.113160D+01
      3  -0.192419D+00  0.574825D+00 -0.240734D+00  0.113160D+01 -0.147665D+01
               241           242           243 
      1   0.983792D-01  0.230873D+00  0.283426D+00
      2   0.230873D+00 -0.821708D+00 -0.507105D+00
      3   0.283426D+00 -0.507105D+00 -0.210278D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.137434D+01  0.976085D+00  0.153378D+01  0.220974D+01 -0.557763D+01
      2   0.872008D+01 -0.242650D+00  0.374494D+01  0.148243D+01 -0.404076D+01
      3   0.971335D+00 -0.677649D+01 -0.173600D+01  0.120510D+01  0.681262D+01
                 6             7             8             9            10 
      1  -0.375668D+01  0.367575D+01  0.404779D+01  0.143615D+01 -0.387511D+01
      2   0.294802D+01 -0.369707D+01  0.320652D+01 -0.268303D+01 -0.193137D+01
      3   0.255324D+01 -0.225314D+01  0.284725D+01 -0.342477D+01 -0.208386D+01
                11            12            13            14            15 
      1  -0.244620D+01  0.728448D+00  0.113190D+01  0.431701D+01 -0.110931D+02
      2  -0.319304D+01  0.200858D+01 -0.332750D+01 -0.466429D+00  0.140856D+01
      3  -0.329431D+01  0.380765D+01  0.691781D+01  0.524152D+00  0.133996D+01
                16            17            18            19            20 
      1  -0.532161D+01  0.147462D+00 -0.175752D+01  0.398057D+01  0.400711D+01
      2  -0.600431D+01  0.366849D+01 -0.562415D+01  0.451515D+01 -0.115444D+01
      3   0.373160D+01  0.253180D+01 -0.551836D-01 -0.450359D+00 -0.427829D+01
                21            22            23            24            25 
      1   0.457795D+01 -0.351849D+00  0.161133D+01  0.533303D+01  0.522333D+01
      2   0.107182D+02 -0.504965D+00 -0.705150D+00 -0.754037D+01  0.354477D+01
      3   0.321713D+00  0.736315D+00 -0.266443D+00 -0.163414D+01  0.677701D+00
                26            27            28            29            30 
      1   0.102930D+02 -0.165633D+01 -0.476093D+01 -0.634736D+01 -0.112793D+01
      2  -0.750089D+01  0.446597D+00 -0.187544D+01 -0.183438D+01  0.499062D+01
      3  -0.187854D+01  0.408355D+00 -0.803270D+01 -0.122663D+02  0.560843D+01
                31            32            33            34            35 
      1  -0.584081D+01 -0.225187D+01 -0.107779D+02 -0.675003D+00 -0.536624D+01
      2  -0.587218D+00  0.484443D+01  0.297086D+01  0.475822D+00  0.234882D+01
      3  -0.357271D+01  0.119524D+02  0.546699D+00  0.523180D+01  0.164114D+01
                36            37            38            39            40 
      1   0.651036D+01  0.386913D+01  0.743667D+00  0.494981D+00  0.292540D+00
      2  -0.425824D+01 -0.555158D+01 -0.995609D+00  0.452694D+01 -0.110737D+01
      3  -0.151908D+01  0.515950D+01 -0.268755D+01 -0.385324D+01  0.577996D+01
                41            42            43            44            45 
      1   0.526187D+01  0.930252D+00 -0.456377D+00  0.833285D+01 -0.750341D+01
      2   0.189990D+01 -0.134932D+01 -0.253901D+01 -0.745504D+00  0.324327D+01
      3  -0.928855D+01 -0.156842D+01 -0.319435D+01 -0.174776D+01 -0.219545D+00
                46            47            48            49            50 
      1   0.278718D+01  0.170523D+01  0.426113D+01  0.402219D+01 -0.124697D+02
      2  -0.344190D+01  0.689434D+01 -0.294713D+01  0.530443D+01 -0.276149D+01
      3   0.206564D+00  0.186977D+01 -0.654216D+01  0.647109D+01  0.230471D+01
                51            52            53            54            55 
      1  -0.152090D+01  0.142765D+01  0.943960D+01  0.133485D+02 -0.495325D+01
      2  -0.805325D+00 -0.105543D+02  0.640866D+00  0.530722D+01  0.241247D+01
      3  -0.251925D+01 -0.631626D+01 -0.270865D+01  0.302309D+00 -0.509822D+01
                56            57            58            59            60 
      1   0.595714D+01 -0.202461D+01  0.443338D+01 -0.557396D+01 -0.573544D+01
      2   0.862792D+00 -0.361425D+01  0.836865D+00 -0.668541D+01 -0.207611D+01
      3   0.334801D+01  0.498459D+01  0.651246D+01  0.125109D+01  0.140476D+01
                61            62            63            64            65 
      1  -0.285121D+00  0.492450D+01  0.105656D+02  0.662494D+01 -0.144663D+01
      2  -0.749640D+01  0.113548D+00  0.734583D+01 -0.201651D+01  0.452285D+01
      3   0.341973D+01  0.174703D+00  0.255332D+01 -0.187279D+01 -0.903801D+01
                66            67            68            69            70 
      1   0.346576D+01 -0.258789D+01 -0.649234D+01  0.745936D+01  0.302066D+01
      2   0.762879D+01  0.264108D+01  0.181974D+01 -0.378493D+01  0.244254D+01
      3  -0.125553D+02 -0.183779D+01  0.160248D+01  0.822508D+00 -0.101975D+02
                71            72            73            74            75 
      1   0.145314D+02 -0.239787D+01 -0.460650D-01 -0.705065D+00 -0.437724D+01
      2  -0.517870D+01  0.746865D+00  0.348298D+01  0.384306D+00  0.133467D+02
      3  -0.150250D+00  0.109670D+00 -0.314434D+01 -0.143139D+02  0.121883D+00
                76            77            78            79            80 
      1  -0.266169D+01  0.236877D+01 -0.170251D+01  0.835048D+00 -0.938355D+00
      2  -0.918553D+00  0.268840D+01  0.345563D+01  0.436354D+01  0.678367D+00
      3  -0.356342D+01 -0.746915D+01  0.171250D+00  0.230174D+00  0.671571D+00
                81            82            83            84            85 
      1  -0.476911D+01 -0.218252D+01  0.476678D-01 -0.164402D+01 -0.901301D-02
      2  -0.151744D+01 -0.114505D+02 -0.642706D+00 -0.474827D+01 -0.194350D+01
      3  -0.249689D+01  0.562997D+01  0.350160D+01  0.300125D+01  0.111675D+02
                86            87            88            89            90 
      1   0.841366D+00 -0.453218D+01 -0.350526D+01 -0.398536D+00  0.288558D+01
      2   0.556022D+01 -0.796898D+01 -0.119802D+02 -0.706142D+01  0.805842D+01
      3  -0.142798D+02 -0.578973D+01  0.431785D+01 -0.557591D+01  0.944413D+01
                91            92            93            94            95 
      1  -0.844135D+01 -0.381992D+01 -0.364513D+01 -0.571907D+01  0.150352D+02
      2  -0.100585D+02 -0.347539D+00  0.123905D+02  0.197502D+00  0.471360D+01
      3  -0.284801D+01 -0.103571D+00  0.842531D+01  0.450282D+01 -0.367777D+01
                96            97            98            99           100 
      1  -0.524224D+01 -0.370336D+01  0.287185D+01 -0.825293D+01  0.713679D+00
      2  -0.119487D+01  0.621448D+01 -0.174750D+01  0.315516D+01  0.725216D+01
      3  -0.276962D-01  0.683878D+01 -0.150563D+01  0.487985D+01  0.116710D+01
               101           102           103           104           105 
      1  -0.451803D+01 -0.228171D+01 -0.652236D+00  0.411377D+01  0.131585D+00
      2  -0.154628D+01 -0.236290D+01 -0.266413D+01  0.134810D+01  0.153278D+01
      3  -0.133810D+01 -0.795710D+00  0.643723D+00  0.369442D+00  0.338685D+00
               106           107           108           109           110 
      1  -0.175421D+01  0.487632D+01  0.361357D+01 -0.213762D+00  0.377777D+01
      2  -0.533638D+01  0.128772D+01  0.368417D+01 -0.106732D+02  0.147192D+01
      3  -0.307351D+00  0.128859D+01  0.750354D+00 -0.306451D+01 -0.183894D+01
               111           112           113           114           115 
      1  -0.200506D+00  0.119375D+01 -0.168267D+01 -0.271744D+00  0.147044D+00
      2  -0.405863D+01  0.219376D+01 -0.174176D+01  0.175873D+01 -0.524151D+01
      3  -0.163156D+01  0.133497D+01  0.116945D+00  0.483892D+00 -0.149659D+01
               116           117           118           119           120 
      1   0.172979D+01  0.587983D+00 -0.392298D+00  0.294963D+01  0.289029D+01
      2   0.152256D+01 -0.334846D+01 -0.196654D+01  0.221987D+01  0.237028D-01
      3  -0.493566D+00 -0.135336D+01 -0.485479D+01  0.597732D+01 -0.168938D+01
               121           122           123           124           125 
      1   0.186457D+01 -0.551838D+01 -0.424748D+01  0.100764D+01 -0.537347D-01
      2   0.209069D+01 -0.335058D+01  0.432391D+00 -0.141235D+01  0.931125D+00
      3   0.741456D+01 -0.983582D+01  0.142215D+01 -0.947534D+00  0.706948D+00
               126           127           128           129           130 
      1  -0.713204D+00  0.270003D+01 -0.850402D+00 -0.456299D+01  0.163518D-01
      2  -0.231130D+00  0.634601D+01  0.134320D+01  0.175046D+01  0.725384D+00
      3  -0.185810D+01  0.146666D+02  0.124357D+01 -0.356674D+01  0.243619D+01
               131           132           133           134           135 
      1   0.427022D+00 -0.726302D+00 -0.273800D+01  0.134164D+01  0.178354D+01
      2   0.698633D+00  0.161336D+00 -0.198011D+01 -0.383243D+00 -0.157804D+00
      3   0.100624D+01 -0.943536D+00 -0.392854D+01 -0.678443D+00  0.301962D+01
               136           137           138           139           140 
      1  -0.146237D+01  0.383695D+00  0.239297D+01  0.584893D+00 -0.174427D+01
      2  -0.120128D+01  0.673368D+00  0.110527D+01  0.900431D+00 -0.443213D+00
      3   0.196112D+00 -0.188823D+01  0.948763D+00  0.179425D-01 -0.149363D+01
               141           142           143           144           145 
      1   0.350470D+01  0.235211D+01  0.172375D+01 -0.164494D+02  0.317354D+01
      2   0.205247D+01 -0.311279D+01 -0.953014D+00 -0.961649D+01  0.326955D+01
      3   0.984549D+00  0.241896D+01  0.187397D+01 -0.236244D+01 -0.140372D+01
               146           147           148           149           150 
      1  -0.611664D+01  0.296015D+00 -0.393618D+01  0.106321D+02 -0.239546D+01
      2  -0.333626D+01  0.216417D+01 -0.370222D+01  0.512859D+01 -0.105964D+01
      3  -0.195612D+01 -0.794960D+00  0.361120D+01  0.440735D+01 -0.476638D+00
               151           152           153           154           155 
      1   0.102754D+01 -0.294480D+01  0.635670D+00 -0.203728D+01  0.124298D+01
      2   0.854107D+00 -0.162102D+01  0.625377D+00 -0.199106D+01 -0.624059D+00
      3  -0.124879D+01 -0.112795D+01  0.239782D+00  0.502253D+01 -0.539853D+00
               156           157           158           159           160 
      1  -0.338048D+01 -0.211627D+00 -0.133229D+00 -0.352491D+01 -0.195865D+01
      2   0.158800D+01 -0.139146D+01 -0.302140D+00  0.127309D+01 -0.197391D+01
      3   0.278468D+01  0.266949D+01  0.665492D+00  0.394471D+00  0.364841D+01
               161           162           163           164           165 
      1   0.275883D+00 -0.404242D+01 -0.415172D+01  0.148772D+01 -0.553698D+01
      2   0.983854D+00  0.206493D+01 -0.531925D+01 -0.102076D+01  0.265415D+00
      3  -0.710588D+00  0.141006D+01  0.106767D+02 -0.254763D+00  0.623922D+01
               166           167           168           169           170 
      1   0.171719D+00 -0.346320D+00 -0.133525D+01 -0.419511D+01 -0.443425D-01
      2  -0.490938D+00 -0.950202D+00  0.168779D-01 -0.344537D+01 -0.539658D-01
      3   0.136137D+01  0.157971D+01  0.571378D+00  0.635856D+01  0.240034D+00
               171           172           173           174           175 
      1  -0.503690D+01  0.130637D+01  0.190172D+01 -0.125395D+01  0.180530D+01
      2  -0.290069D-01 -0.555025D+00 -0.158188D+01  0.112861D+01 -0.656910D+00
      3   0.451505D+01  0.920326D+00  0.849945D+00 -0.321207D-01  0.360703D+01
               176           177           178           179           180 
      1   0.107560D+02 -0.927901D+01 -0.105738D+01 -0.829128D+01  0.109260D+02
      2  -0.264382D+01  0.204150D+01 -0.365295D+00  0.248692D+01 -0.323174D+01
      3  -0.196948D+01  0.776642D+00 -0.235482D+01  0.153003D+01 -0.971663D+00
               181           182           183           184           185 
      1  -0.252076D+01 -0.156678D+01  0.378561D+01  0.211269D+00  0.380077D+00
      2   0.699932D+01 -0.276637D+01 -0.260773D+01 -0.213347D+01  0.210012D+01
      3  -0.957138D+01  0.306940D+01  0.544181D+01  0.423980D+01 -0.319341D+01
               186           187           188           189           190 
      1  -0.273002D+01  0.181324D+01 -0.279806D+00 -0.397043D+01 -0.121538D+01
      2   0.140239D+01 -0.507754D+01  0.232315D+01  0.283330D+01 -0.310678D+01
      3  -0.236961D+01  0.588443D+01 -0.216666D+01 -0.421742D+01 -0.301950D+01
               191           192           193           194           195 
      1  -0.378449D+00  0.547463D+00  0.248994D+00 -0.241216D+01  0.127838D+01
      2   0.663580D-01  0.291191D+01  0.912352D+00 -0.459355D+01  0.645806D+01
      3  -0.125418D+01  0.125423D+01  0.719997D+00 -0.495209D+01  0.474623D+01
               196           197           198           199           200 
      1   0.685566D+00  0.426492D+01 -0.360779D+01  0.314119D+00 -0.465817D+00
      2   0.461321D+00  0.576584D+01 -0.154251D+02  0.370013D+00  0.321869D+00
      3   0.459271D+00  0.633869D+01 -0.608256D+01  0.248795D+01 -0.330125D+01
               201           202           203           204           205 
      1   0.460578D+00 -0.602523D-01  0.142479D+01 -0.327990D+01  0.325642D+00
      2   0.159655D+01  0.637647D+00 -0.314881D+01 -0.404137D+01  0.786256D+00
      3  -0.665251D+00 -0.209699D+01  0.196064D+02  0.304235D+01 -0.760305D+00
               206           207           208           209           210 
      1   0.623943D+00 -0.673053D+00  0.168692D+01  0.835456D+00  0.824302D+00
      2  -0.184441D+01 -0.207137D+01  0.766313D+01  0.128466D+01  0.800985D+01
      3   0.313794D+01  0.166187D+01 -0.639119D+01 -0.561201D+01 -0.249221D+01
               211           212           213           214           215 
      1   0.576256D+00  0.676058D+00 -0.296935D+00  0.178674D+01  0.159456D+01
      2   0.189877D+01  0.104221D+01  0.343438D+01  0.522217D+01  0.180455D+01
      3  -0.355538D+01 -0.192966D+01 -0.126677D+01 -0.359594D+01 -0.355515D+01
               216           217           218           219           220 
      1   0.819543D+00  0.445529D+01 -0.393253D+01 -0.216155D+01 -0.231838D+01
      2   0.737340D+01  0.150389D+02 -0.977998D+00 -0.469845D+01 -0.118323D+01
      3  -0.314391D+01  0.801278D+01 -0.187211D+01 -0.324148D+01  0.304245D+00
               221           222           223           224           225 
      1   0.118778D+01 -0.170089D+00 -0.186633D+01  0.166046D+01  0.284101D+01
      2   0.274723D+01 -0.604554D+00 -0.725511D+01 -0.594522D+00  0.444295D+01
      3   0.162085D+01 -0.795668D+00 -0.322671D+01  0.125494D+00  0.221149D+01
               226           227           228           229           230 
      1   0.466916D+01  0.389604D+01  0.492318D+01  0.270859D+01  0.182043D+01
      2  -0.487166D+01 -0.877311D+00 -0.589755D+00 -0.207580D+01 -0.862316D+00
      3  -0.387248D+01 -0.310169D+01 -0.360827D+01 -0.128904D+01 -0.151768D+01
               231           232           233           234           235 
      1   0.272811D+01  0.407411D+01  0.396423D+01  0.767701D+01 -0.140248D+01
      2   0.681143D+00 -0.534623D+01  0.487337D-01  0.588423D-02 -0.181544D+00
      3  -0.158537D+01 -0.345975D+01 -0.178597D+01 -0.402151D+01  0.789644D-01
               236           237           238           239           240 
      1   0.268191D+01  0.101462D+01  0.300006D+01 -0.172794D+02 -0.351756D+01
      2   0.172403D+01  0.498040D+00  0.286593D+01 -0.189557D+01 -0.160275D+01
      3  -0.742234D+00 -0.364041D+00  0.324753D+01  0.656411D+01 -0.746225D+00
               241           242           243 
      1   0.625729D+00 -0.172848D+01 -0.217126D+01
      2  -0.532907D+00 -0.637362D+00 -0.101512D+01
      3   0.703645D-01  0.976905D+00  0.220575D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.928294D+01  0.306468D+01  0.122609D+02  0.417267D+01  0.743265D+01
      2  -0.616814D+00 -0.203831D+01 -0.804236D+01 -0.343880D+01 -0.212378D+01
      3   0.989975D+01 -0.102637D+01 -0.421856D+01 -0.733866D+00 -0.530887D+01
      4  -0.160298D+00  0.353605D+01 -0.467232D+01  0.526038D+01 -0.109300D+02
      5   0.106310D+02 -0.105754D+01  0.650540D+01  0.346600D+00  0.341255D+00
      6  -0.704929D+01  0.219344D+01 -0.130573D+01  0.249712D+01 -0.469599D+01
                 6             7             8             9            10 
      1  -0.411322D+01  0.156813D+02 -0.273813D+01  0.866045D+01  0.532491D+00
      2  -0.308080D+01 -0.862565D+01 -0.130628D+01 -0.424563D+01 -0.173618D-01
      3   0.719403D+01 -0.705563D+01  0.404441D+01 -0.441482D+01 -0.515129D+00
      4  -0.622837D+00 -0.423507D+01 -0.407563D+00  0.160332D+01  0.558895D+01
      5   0.548177D+01  0.769542D+01  0.465848D+01 -0.194398D+01 -0.126472D+01
      6  -0.346065D+01 -0.150482D+01 -0.402553D+01  0.276696D+01  0.680802D+01
                11            12            13            14            15 
      1   0.507490D+01  0.721607D+00  0.657312D+01  0.306596D+00 -0.110599D+02
      2  -0.199803D+01  0.324830D+01 -0.139128D+00  0.590086D+01 -0.334098D+01
      3  -0.307687D+01 -0.396990D+01 -0.643400D+01 -0.620746D+01  0.144009D+02
      4   0.315625D+01  0.332121D+01  0.221672D+00  0.979569D+00 -0.137300D+01
      5  -0.151761D+01  0.352527D+01 -0.185458D+01 -0.201028D+01 -0.324541D+01
      6  -0.134155D+01  0.364557D+00 -0.570931D+00  0.263273D+01 -0.418381D+01
                16            17            18            19            20 
      1  -0.119674D+02 -0.660275D+01 -0.132844D+01  0.572180D+01 -0.281817D+01
      2   0.426784D+01 -0.321108D+01  0.653626D+00  0.104550D+02 -0.990107D+01
      3   0.769952D+01  0.981382D+01  0.674810D+00 -0.161768D+02  0.127192D+02
      4   0.551818D+01 -0.372042D+01  0.237729D+01  0.396306D+01 -0.277353D+01
      5   0.193116D+01 -0.236203D+00  0.100978D+00 -0.888265D+01  0.304075D+01
      6   0.143035D+00 -0.107517D+00  0.980445D+01  0.396246D+01 -0.104338D+01
                21            22            23            24            25 
      1  -0.761458D+01 -0.943761D+01 -0.614961D+01  0.125262D+02 -0.134815D+01
      2  -0.403957D+01 -0.699982D+01 -0.566369D+01  0.108702D+01 -0.537544D+01
      3   0.116541D+02  0.164374D+02  0.118133D+02 -0.136132D+02  0.672359D+01
      4   0.295447D+01 -0.220259D+01 -0.286214D+01 -0.169869D+01  0.109452D+01
      5  -0.185542D+02  0.442094D+01  0.248403D+01  0.104514D+02 -0.126008D+02
      6   0.961807D+01 -0.238025D+01 -0.466356D+01  0.695575D+01  0.701645D+01
                26            27            28            29            30 
      1   0.656749D+01  0.209960D+01 -0.453833D+01 -0.146281D+02  0.524676D+01
      2   0.131558D+00  0.982629D+01 -0.538342D+01  0.232342D+02  0.651513D+00
      3  -0.669905D+01 -0.119259D+02  0.992175D+01 -0.860618D+01 -0.589827D+01
      4  -0.185720D+01  0.316883D+01 -0.164134D+02 -0.103808D+02  0.109366D+02
      5   0.724100D+01  0.273825D+01  0.106885D+02  0.707133D+01 -0.313577D+01
      6   0.476214D+01 -0.467898D+01  0.134803D+02 -0.112640D+01 -0.443282D+01
                31            32            33            34            35 
      1  -0.960827D+01  0.146580D+02 -0.185374D+00  0.461128D+01  0.133240D+01
      2   0.162956D+02 -0.205980D+02  0.811202D+01  0.979732D+00  0.720319D+01
      3  -0.668734D+01  0.593996D+01 -0.792664D+01 -0.559101D+01 -0.853559D+01
      4  -0.301453D+01  0.113328D+02  0.142792D+01  0.949098D+01  0.348200D+01
      5   0.282283D+01 -0.347430D+01  0.155419D+00 -0.363475D+01  0.467852D+00
      6  -0.176070D+01  0.817287D+01  0.139788D+01 -0.281239D+01  0.339811D+01
                36            37            38            39            40 
      1  -0.768654D+01  0.838438D+00  0.440087D+01  0.199005D+00  0.249567D+01
      2   0.628719D+01  0.158241D+01 -0.874146D+01 -0.315712D+01 -0.521671D+01
      3   0.139936D+01 -0.242085D+01  0.434058D+01  0.295812D+01  0.272104D+01
      4   0.287256D+01  0.177685D+01 -0.668326D+01 -0.102514D+02 -0.582301D+01
      5  -0.181855D+01 -0.397609D+01 -0.756810D+01 -0.862453D+01 -0.413177D+01
      6  -0.101723D+02 -0.115222D+02 -0.102709D+02 -0.364709D+01 -0.734681D+01
                41            42            43            44            45 
      1  -0.806487D+01 -0.150318D-01 -0.261790D+01 -0.114984D+01  0.259714D+01
      2   0.114330D+02 -0.333891D+00 -0.674123D-01 -0.885884D+00 -0.772537D+01
      3  -0.336815D+01  0.348923D+00  0.268531D+01  0.203572D+01  0.512823D+01
      4  -0.232232D+01 -0.450670D+01 -0.848497D+01 -0.484558D+01 -0.103331D+02
      5  -0.489741D+01 -0.659363D+01 -0.711721D+01 -0.827999D+01 -0.454975D+01
      6   0.110011D+01 -0.763095D+01 -0.570159D+01 -0.108349D+02  0.282460D+01
                46            47            48            49            50 
      1  -0.529763D+02 -0.707613D+01  0.314468D+01 -0.179946D+02  0.331600D+00
      2   0.247811D+02 -0.103330D+01 -0.308466D+01  0.878859D+01 -0.311379D+01
      3   0.281952D+02  0.810943D+01 -0.600238D-01  0.920601D+01  0.278219D+01
      4  -0.132216D+02 -0.877981D+01  0.196140D+01  0.119431D-01 -0.401242D+01
      5   0.567854D+01  0.428829D+01 -0.771041D+01  0.274267D+01  0.755293D+00
      6   0.470543D+00  0.922451D+00 -0.532429D+01  0.331946D+01 -0.470358D+01
                51            52            53            54            55 
      1   0.111715D+02  0.741785D+00  0.951495D+01 -0.119966D+01  0.245779D+01
      2  -0.933449D+00  0.162807D+01 -0.513280D+01 -0.156258D+01 -0.681360D+01
      3  -0.102381D+02 -0.236985D+01 -0.438215D+01  0.276224D+01  0.435581D+01
      4   0.199445D+01 -0.930545D+00  0.364391D+01 -0.270193D+01  0.107932D+01
      5  -0.417151D+01  0.379364D+01 -0.936567D+00 -0.141098D+00 -0.275696D+01
      6  -0.246524D+01 -0.255104D+00  0.377567D+00 -0.605299D+01  0.381876D+01
                56            57            58            59            60 
      1  -0.742723D+01 -0.665779D+01  0.139352D+01 -0.201334D+01 -0.808312D+01
      2   0.159835D+02  0.204948D+01  0.868323D+01 -0.113206D+02 -0.208768D-01
      3  -0.855630D+01  0.460831D+01 -0.100767D+02  0.133340D+02  0.810400D+01
      4  -0.119894D+02  0.644620D+00 -0.828788D+01  0.168221D+02 -0.134200D+01
      5  -0.151046D+01  0.617099D+00 -0.510795D+00  0.303112D+01 -0.546366D+00
      6   0.932608D+01  0.327610D+01  0.379139D+01  0.442244D+00  0.864790D+01
                61            62            63            64            65 
      1   0.205639D+01 -0.280366D+01  0.982095D+01  0.537422D+01 -0.542975D+01
      2  -0.482323D+01  0.765262D+01  0.146474D+02  0.398124D+01  0.253656D+01
      3   0.276684D+01 -0.484896D+01 -0.244683D+02 -0.935546D+01  0.289320D+01
      4   0.350820D+01 -0.362238D+01  0.532777D+01 -0.505858D+01 -0.872041D+01
      5   0.840777D+00  0.541773D+00  0.124682D+02 -0.852008D+01 -0.776121D+01
      6   0.862749D+00  0.552409D+01 -0.829272D+01 -0.201263D+02  0.752676D+01
                66            67            68            69            70 
      1  -0.929044D+01 -0.479451D+01 -0.242397D+01 -0.276786D+01 -0.748425D+01
      2   0.109131D+02  0.128531D+01 -0.280036D+01  0.169155D+02  0.101181D+02
      3  -0.162268D+01  0.350920D+01  0.522433D+01 -0.141477D+02 -0.263384D+01
      4  -0.181020D+02 -0.534061D+01  0.214333D+01  0.857494D+01 -0.154892D+02
      5  -0.169846D+02 -0.354238D+01  0.692438D+01  0.575337D+00 -0.140993D+02
      6  -0.167484D+00  0.720843D+01  0.143727D+02 -0.527852D+01 -0.408398D+00
                71            72            73            74            75 
      1  -0.581622D+01  0.310812D+01  0.104525D+03  0.133581D+02 -0.387275D+01
      2   0.207309D+02 -0.748682D+01 -0.507173D+02 -0.383185D+01  0.290881D+01
      3  -0.149147D+02  0.437871D+01 -0.538081D+02 -0.952624D+01  0.963938D+00
      4   0.950861D+01 -0.431754D+01  0.177351D+02  0.211299D+02 -0.192623D+01
      5  -0.772837D+00 -0.126185D+01 -0.915226D+01 -0.279438D+01  0.189118D+02
      6  -0.958019D+01 -0.580543D+01 -0.495876D+01 -0.285408D+01  0.334785D+01
                76            77            78            79            80 
      1   0.164154D+02  0.135557D+02 -0.287791D+01  0.158672D+01 -0.196309D+01
      2  -0.675814D+01 -0.139582D+01  0.151138D+01  0.182720D+01  0.100309D+01
      3  -0.965730D+01 -0.121599D+02  0.136653D+01 -0.341392D+01  0.960006D+00
      4   0.245340D+02  0.128502D+02 -0.279790D+01 -0.270621D+01 -0.189261D+01
      5  -0.445200D+01 -0.346025D+01  0.490235D+01  0.210821D+02  0.469160D+01
      6  -0.355521D+01 -0.202509D+01  0.520321D+01  0.245652D+01  0.443014D+01
                81            82            83            84            85 
      1   0.107664D+02 -0.234832D+01 -0.114440D+02 -0.235985D+02 -0.165247D+02
      2  -0.993232D+01  0.347417D+01  0.837242D+01  0.125096D+02  0.142934D+02
      3  -0.834082D+00 -0.112585D+01  0.307160D+01  0.110889D+02  0.223125D+01
      4   0.399457D+01 -0.102445D+02 -0.519227D+01  0.116106D+01 -0.955812D+01
      5  -0.444478D+01 -0.236887D+02 -0.909030D+00 -0.994065D+01 -0.352619D+01
      6  -0.815990D+00  0.409889D+01  0.802246D+00  0.860446D+00  0.165758D+01
                86            87            88            89            90 
      1  -0.417220D+00 -0.873609D+00 -0.290251D+02 -0.722911D+00 -0.127536D+02
      2  -0.969406D+01 -0.263745D+01  0.147896D+02 -0.277950D+01  0.104939D+02
      3   0.101113D+02  0.351106D+01  0.142355D+02  0.350241D+01  0.225963D+01
      4   0.255744D+02  0.691766D+01 -0.737977D+00  0.674103D+01 -0.976633D+01
      5   0.696830D+01 -0.125636D+02 -0.142197D+02 -0.113863D+02  0.887682D+01
      6  -0.529116D+01  0.120676D+01  0.491682D+00  0.150704D+01 -0.544201D+00
                91            92            93            94            95 
      1   0.102758D+02 -0.261974D+01 -0.746672D+01 -0.360487D+01  0.320112D+01
      2   0.107841D+02  0.839633D+01  0.125794D+02  0.109558D+02 -0.231295D+02
      3  -0.210599D+02 -0.577659D+01 -0.511265D+01 -0.735094D+01  0.199284D+02
      4  -0.576616D+01 -0.173431D+01  0.634255D+01 -0.233054D+01  0.139589D+02
      5  -0.270003D+01 -0.237462D+01 -0.219112D+02 -0.527549D+01 -0.272660D+01
      6   0.459794D+01 -0.256664D+01 -0.288884D+01 -0.383776D+01  0.107809D+02
                96            97            98            99           100 
      1   0.542940D+01 -0.774953D+01  0.689410D+01 -0.986313D+01 -0.253087D+00
      2   0.747508D+01  0.127434D+02  0.370544D+00  0.130874D+02 -0.907764D+01
      3  -0.129045D+02 -0.499385D+01 -0.726464D+01 -0.322425D+01  0.933073D+01
      4   0.184124D+01  0.560012D+01  0.393563D+01 -0.255248D+01 -0.119374D+01
      5  -0.975296D+01 -0.198800D+02 -0.683101D+01 -0.857705D+01 -0.100271D+02
      6   0.863378D+01 -0.139008D+01  0.985033D+01 -0.101028D+02 -0.371847D-01
               101           102           103           104           105 
      1  -0.368444D+00  0.779924D+01  0.221363D+01 -0.268682D+01 -0.759904D+01
      2   0.366762D+01  0.110804D+02  0.338462D+01 -0.165583D+01 -0.652442D+01
      3  -0.329917D+01 -0.188796D+02 -0.559825D+01  0.434266D+01  0.141235D+02
      4   0.214593D+01 -0.313766D+00  0.178246D+01 -0.100227D+01 -0.125606D+01
      5   0.199403D+01  0.143543D+02  0.279256D+01 -0.374642D+01 -0.456724D+01
      6  -0.445026D+01 -0.895960D+00 -0.255806D+01  0.523890D+01  0.589969D+01
               106           107           108           109           110 
      1   0.446062D+01 -0.246749D+01 -0.161362D+02  0.358811D+01  0.195920D+01
      2   0.736257D+01 -0.336661D+01 -0.212826D+02 -0.116691D+02  0.102599D+01
      3  -0.118232D+02  0.583411D+01  0.374188D+02  0.808099D+01 -0.298519D+01
      4  -0.347856D+00 -0.121278D+01 -0.109743D+01 -0.897005D+01  0.549201D+01
      5   0.112551D+02 -0.313813D+01 -0.135634D+02  0.217137D+02 -0.489008D+01
      6  -0.101092D+01  0.540465D+01  0.131846D+01 -0.720029D+01  0.734539D+01
               111           112           113           114           115 
      1  -0.295771D+01  0.130443D+01 -0.160553D+01  0.213206D+01 -0.183500D+01
      2  -0.102150D+02  0.967272D+00  0.141640D+01  0.183582D+00 -0.608558D+01
      3   0.131728D+02 -0.227170D+01  0.189138D+00 -0.231565D+01  0.792058D+01
      4  -0.668234D+01  0.548468D+01 -0.269215D+01  0.346119D+01 -0.400327D+01
      5   0.194477D+02 -0.416456D+01  0.424285D+01 -0.447841D+01  0.127828D+02
      6  -0.900035D+01  0.534895D+01 -0.542179D+01  0.695102D+01 -0.574358D+01
               116           117           118           119           120 
      1   0.159600D+01 -0.679207D+01 -0.274526D+01  0.115965D+02 -0.366462D+01
      2   0.287546D+00 -0.114403D+02  0.834899D+01 -0.208816D+02  0.257165D+01
      3  -0.188355D+01  0.182324D+02 -0.560374D+01  0.928509D+01  0.109297D+01
      4   0.206958D+01 -0.488722D+01 -0.575405D+01  0.111110D+02 -0.290792D+01
      5  -0.396490D+01  0.132230D+02  0.131878D+01 -0.359832D+01  0.219405D+01
      6   0.490958D+01 -0.769512D+01 -0.508602D+01  0.837062D+01 -0.516974D+01
               121           122           123           124           125 
      1   0.653611D+01 -0.297539D+02  0.601209D+01 -0.134418D+01  0.352557D+01
      2  -0.108276D+02  0.538003D+02 -0.774736D+01  0.816130D-01 -0.296242D+01
      3   0.429150D+01 -0.240464D+02  0.173527D+01  0.126257D+01 -0.563149D+00
      4   0.876681D+01 -0.742565D+01  0.589503D+00 -0.157147D+01  0.318472D+00
      5  -0.293654D+01  0.237837D+01 -0.600267D+00  0.196668D+01 -0.565791D+00
      6   0.342169D+01 -0.197941D+02  0.106858D+02 -0.238790D+01  0.974080D+01
               126           127           128           129           130 
      1  -0.477743D+01  0.178832D+02  0.229347D+01 -0.157380D+01  0.849509D+00
      2   0.477951D+01 -0.322027D+01  0.536107D+01  0.672329D+00  0.341181D+01
      3  -0.207634D-02 -0.146630D+02 -0.765454D+01  0.901475D+00 -0.426132D+01
      4  -0.218753D+01  0.293276D+02  0.184849D+02 -0.104705D+02  0.112270D+02
      5   0.103003D+01 -0.179265D+02 -0.834368D+01  0.101396D+02 -0.386280D+01
      6  -0.321688D+01 -0.129444D+02 -0.941399D+01  0.103911D+02 -0.517848D+01
               131           132           133           134           135 
      1  -0.109260D+01  0.773714D+00 -0.197840D+01  0.981545D+00  0.845917D+00
      2   0.780865D+01 -0.300067D+01  0.181321D+01 -0.256362D+01 -0.299195D+01
      3  -0.671605D+01  0.222695D+01  0.165192D+00  0.158208D+01  0.214603D+01
      4   0.917020D+01 -0.432338D+01 -0.822377D+01 -0.546088D+01  0.679963D+01
      5  -0.424053D+01  0.257233D+01  0.983796D+01  0.436064D+01 -0.683244D+01
      6  -0.716359D+01  0.430746D+01  0.789857D+01  0.652013D+01 -0.662152D+01
               136           137           138           139           140 
      1  -0.843495D+00  0.112640D+01 -0.163599D+00  0.197009D+01 -0.288905D+01
      2  -0.383612D+01 -0.119240D+01  0.411941D+01 -0.267130D+01  0.596230D+00
      3   0.467962D+01  0.660034D-01 -0.395581D+01  0.701210D+00  0.229282D+01
      4  -0.118807D+01  0.394176D+01  0.351541D+01  0.124727D+01 -0.212425D+01
      5  -0.453214D+01  0.119751D+01  0.982857D+01 -0.214220D+01 -0.171383D+01
      6   0.199646D+01 -0.202292D+01 -0.262790D+01 -0.803960D+00  0.130466D+01
               141           142           143           144           145 
      1   0.116070D+00 -0.111222D+01 -0.498895D+01 -0.228620D+02  0.554876D+01
      2   0.543341D+01  0.508154D+01  0.832929D+00 -0.215329D+02  0.532512D+01
      3  -0.554948D+01 -0.396932D+01  0.415602D+01  0.443949D+02 -0.108739D+02
      4  -0.118482D+01  0.376303D+01 -0.292478D+01 -0.653981D+01 -0.160752D+02
      5   0.300958D+01  0.926716D+01 -0.307295D+01 -0.199880D+02 -0.395621D+01
      6   0.434897D+01 -0.389765D+01  0.863499D+01  0.202386D+02  0.363912D+01
               146           147           148           149           150 
      1   0.419978D+00  0.159495D+01 -0.202470D+00 -0.123396D+02 -0.172534D+01
      2  -0.109569D+02 -0.124062D+01 -0.101450D+02  0.336169D+02  0.141221D+01
      3   0.105369D+02 -0.354335D+00  0.103475D+02 -0.212773D+02  0.313128D+00
      4   0.203490D+02  0.302637D+01  0.172153D+02 -0.277377D+02 -0.277348D+01
      5   0.544340D+01  0.387708D+01  0.429439D+01 -0.434468D+01 -0.321277D+01
      6  -0.658666D+01 -0.403220D+01 -0.562807D+01  0.118292D+02  0.650872D+01
               151           152           153           154           155 
      1   0.230868D+01 -0.172170D+00 -0.330096D+01  0.547194D+01 -0.727025D+00
      2   0.774086D+00 -0.530633D+01  0.158965D+01 -0.667000D+00  0.539578D+01
      3  -0.308276D+01  0.547850D+01  0.171131D+01 -0.480494D+01 -0.466875D+01
      4  -0.350661D+01  0.413018D+01 -0.385204D+01  0.153206D+02  0.143767D+02
      5   0.131487D+01 -0.246582D+01 -0.115152D+01  0.132539D+02  0.809512D+01
      6  -0.215411D+01  0.444353D+01  0.181487D+01  0.105781D+02  0.926551D+01
               156           157           158           159           160 
      1   0.927394D+00 -0.149414D+01 -0.527593D+01 -0.363325D+01  0.620135D+00
      2  -0.113037D+01  0.522803D+01  0.108168D+02  0.437192D+01 -0.145806D+01
      3   0.202977D+00 -0.373390D+01 -0.554082D+01 -0.738665D+00  0.837924D+00
      4   0.102891D+02  0.113843D+02  0.122147D+02  0.730628D+01  0.930328D+01
      5   0.116292D+02  0.553073D+01  0.719450D+01  0.548284D+01  0.112969D+02
      6   0.940490D+01  0.732299D+01  0.114608D+02  0.117291D+02  0.910152D+01
               161           162           163           164           165 
      1  -0.425731D+01 -0.539175D+01  0.889873D+01 -0.195261D+01  0.129737D+01
      2   0.360452D+01 -0.250503D+00 -0.897831D+01  0.496559D+01 -0.761859D+01
      3   0.652784D+00  0.564225D+01  0.795815D-01 -0.301298D+01  0.632122D+01
      4   0.849793D+01  0.101605D+02  0.200840D+02  0.120743D+02  0.136885D+02
      5   0.759761D+01  0.126317D+02  0.207175D+02  0.739023D+01  0.177201D+02
      6   0.139083D+02  0.156042D+02  0.138229D+02  0.889723D+01  0.129477D+02
               166           167           168           169           170 
      1  -0.962537D+00 -0.452014D+00 -0.966604D+00  0.198657D+01 -0.236584D+01
      2   0.329377D+01  0.199055D+01  0.151101D+01 -0.715943D+01  0.360039D+00
      3  -0.233123D+01 -0.153854D+01 -0.544410D+00  0.517286D+01  0.200580D+01
      4   0.605721D+01  0.461343D+01  0.288521D+01  0.118703D+02  0.508396D+01
      5   0.178668D+01  0.340137D+01  0.107955D+01  0.151655D+02  0.477009D+01
      6   0.369133D+01  0.251621D+01  0.499626D+01  0.968522D+01  0.992384D+01
               171           172           173           174           175 
      1  -0.384661D+01 -0.595706D+00  0.190474D-01  0.449287D+00 -0.367001D+00
      2  -0.621529D+01  0.317857D+01  0.423952D+01 -0.251121D+01  0.452455D+01
      3   0.100619D+02 -0.258286D+01 -0.425856D+01  0.206193D+01 -0.415755D+01
      4   0.972683D+01  0.433528D+01  0.832188D+01 -0.119968D+01  0.752419D+01
      5   0.145829D+02  0.413049D+00  0.449019D+00  0.352121D+01  0.387330D+00
      6   0.139927D+02  0.417580D+00 -0.139806D+01  0.160695D+01 -0.143430D+01
               176           177           178           179           180 
      1  -0.136417D+02  0.410618D+01  0.331404D+00  0.925531D+01 -0.365289D+01
      2   0.341510D+02 -0.130290D+02 -0.374708D+01 -0.234779D+02  0.968159D+01
      3  -0.205093D+02  0.892285D+01  0.341568D+01  0.142226D+02 -0.602870D+01
      4   0.921727D+01 -0.389452D+01 -0.444868D+01 -0.767261D+01  0.355793D+01
      5  -0.233243D+01  0.165285D+01  0.231473D+01  0.221586D+01 -0.274611D+01
      6  -0.617105D+01  0.915523D+01  0.123320D+01  0.824346D+01 -0.120902D+02
               181           182           183           184           185 
      1  -0.289754D+01  0.939265D+01  0.890599D+01  0.448207D+01 -0.813182D+01
      2   0.403511D+00 -0.102852D+02 -0.200295D+01 -0.508077D+01  0.100539D+02
      3   0.249403D+01  0.892574D+00 -0.690304D+01  0.598700D+00 -0.192212D+01
      4  -0.135996D+02  0.872728D+01  0.960709D+01  0.627453D+01 -0.650468D+01
      5  -0.947730D+01  0.544445D+01  0.861563D+01  0.290992D+01 -0.438054D+01
      6   0.111352D+02 -0.130307D+02 -0.134021D+02 -0.669247D+01  0.915162D+01
               186           187           188           189           190 
      1  -0.578041D+01  0.546906D+01 -0.836478D+01 -0.115129D+02  0.453236D+01
      2   0.351934D+01 -0.122100D+01  0.435062D+01  0.854776D+00 -0.438552D+01
      3   0.226107D+01 -0.424806D+01  0.401417D+01  0.106581D+02 -0.146842D+00
      4  -0.483939D+01  0.882921D+01 -0.524554D+01 -0.589462D+01  0.344918D+01
      5  -0.240504D+01  0.800939D+01 -0.289628D+01 -0.570721D+01 -0.517834D+01
      6   0.100976D+02 -0.775448D+01  0.141195D+02  0.169033D+02 -0.104156D+01
               191           192           193           194           195 
      1   0.470277D+01 -0.447910D+01  0.103614D+02 -0.101855D+01 -0.114557D+01
      2  -0.318603D+01  0.447683D+01 -0.693260D+01  0.146032D+01  0.290282D+01
      3  -0.151674D+01  0.226630D-02 -0.342884D+01 -0.441769D+00 -0.175725D+01
      4   0.277576D+01 -0.192450D+01  0.330480D+01  0.358187D+01 -0.580648D+01
      5  -0.299836D+01  0.101743D+02 -0.445549D+01 -0.548376D+01  0.934874D+01
      6  -0.412640D+00 -0.123415D+00 -0.113108D+00 -0.190873D+01  0.209806D+01
               196           197           198           199           200 
      1  -0.106654D+02  0.290385D+00  0.399978D+01  0.616768D+01 -0.488632D+01
      2   0.801706D+01  0.230700D+01 -0.120563D+02 -0.349752D+00  0.869973D-01
      3   0.264834D+01 -0.259739D+01  0.805648D+01 -0.581792D+01  0.479932D+01
      4  -0.721020D+00 -0.764026D+01  0.636220D+01 -0.740686D+01  0.109429D+02
      5   0.146724D+02  0.727376D+01 -0.249041D+02  0.220649D+00  0.241215D+01
      6  -0.102929D+01  0.315698D+01  0.629498D+00  0.125179D+01 -0.124255D+01
               201           202           203           204           205 
      1   0.940242D+00 -0.103038D+02 -0.261456D+01  0.403531D+00  0.139290D+01
      2  -0.732835D+00 -0.127484D+01  0.200814D+02  0.160173D+01 -0.107055D+01
      3  -0.207407D+00  0.115786D+02 -0.174668D+02 -0.200527D+01 -0.322348D+00
      4   0.214739D+01  0.202221D+02 -0.371379D+02 -0.571278D+01  0.285595D+01
      5   0.311105D+01  0.396386D+01 -0.519495D+01 -0.582772D+01  0.523442D+01
      6  -0.886514D+00 -0.242331D+01  0.705484D+01  0.635375D+01 -0.211656D+01
               206           207           208           209           210 
      1  -0.169571D+00  0.657367D+00  0.488744D+02  0.604732D+01  0.158165D+02
      2   0.169348D+01  0.436861D+00 -0.265276D+02 -0.367945D+01 -0.943270D+01
      3  -0.152391D+01 -0.109423D+01 -0.223468D+02 -0.236787D+01 -0.638381D+01
      4  -0.512218D+01 -0.388954D+01  0.273725D+01  0.778824D+01  0.996848D+00
      5  -0.407129D+01 -0.355502D+01  0.184949D+02  0.210664D+01  0.136547D+02
      6   0.570379D+01  0.229962D+01 -0.172690D+01  0.554111D+00 -0.123670D+01
               211           212           213           214           215 
      1   0.142951D+02  0.563128D+01  0.350550D+01  0.284195D+02  0.218159D+01
      2  -0.823751D+01 -0.146508D+01 -0.197814D+01 -0.165625D+02 -0.131810D+01
      3  -0.605760D+01 -0.416619D+01 -0.152736D+01 -0.118570D+02 -0.863495D+00
      4   0.948902D+01  0.222312D+01  0.303295D+01  0.630084D+00  0.537704D+01
      5   0.518407D+01  0.296978D+01  0.579326D+01  0.187843D+02  0.331808D+01
      6   0.973549D+00  0.142370D+01  0.150594D+01 -0.112391D+01  0.168997D+01
               216           217           218           219           220 
      1   0.116829D+02 -0.476139D+01 -0.405302D+01  0.109632D+02 -0.108920D+01
      2  -0.101795D+02 -0.435620D+01  0.111522D+01  0.387768D+01 -0.463905D+00
      3  -0.150336D+01  0.911759D+01  0.293780D+01 -0.148409D+02  0.155310D+01
      4   0.245729D+01  0.919124D+01  0.227541D+01 -0.482103D+01  0.230967D+01
      5   0.150645D+02 -0.160206D+02  0.173315D+00  0.972183D+01  0.880861D+00
      6  -0.115520D+01 -0.305458D+01 -0.737990D+01  0.864869D+01 -0.393905D+01
               221           222           223           224           225 
      1  -0.205434D+01  0.439621D+00  0.671367D+01  0.132484D+01 -0.841625D+01
      2   0.339470D+01 -0.224674D+01  0.217573D+01 -0.741136D+00 -0.728498D+01
      3  -0.134035D+01  0.180712D+01 -0.888939D+01 -0.583703D+00  0.157012D+02
      4  -0.236722D+00 -0.953517D+00 -0.435503D+01 -0.134287D+01  0.367553D+01
      5  -0.280379D+01  0.236502D+01  0.101165D+02  0.155229D+01 -0.587488D+01
      6  -0.898479D+00  0.205247D+01  0.403105D+01  0.313634D+01 -0.521598D+01
               226           227           228           229           230 
      1   0.795192D+01  0.192903D+01  0.970295D+00  0.299254D+01 -0.290189D+00
      2  -0.163162D+02 -0.318751D+01 -0.169131D+02 -0.635696D+01 -0.567937D+00
      3   0.836430D+01  0.125849D+01  0.159428D+02  0.336442D+01  0.858126D+00
      4  -0.374611D+01  0.396333D+01 -0.432225D+01  0.222308D+01  0.373578D+00
      5   0.223118D+02  0.830888D+00  0.242989D+02  0.715348D+01  0.459203D+01
      6  -0.201459D+01  0.556235D+01 -0.371680D+01  0.358188D+01  0.184881D+01
               231           232           233           234           235 
      1  -0.168646D+01  0.147235D+01  0.479199D-01 -0.673143D+01 -0.120828D+00
      2  -0.789822D+01 -0.136338D+02 -0.238006D+01 -0.229999D+02  0.197805D+01
      3   0.958468D+01  0.121615D+02  0.233214D+01  0.297313D+02 -0.185722D+01
      4   0.192356D+01 -0.368970D+01  0.213953D+01 -0.270124D+01 -0.477121D+01
      5   0.822667D+01  0.197818D+02  0.149289D+01  0.253250D+02  0.237336D+01
      6   0.354568D+01 -0.214994D+01  0.482510D+01 -0.431587D+01 -0.331602D+01
               236           237           238           239           240 
      1  -0.595772D+00 -0.223310D+00 -0.351041D+00 -0.176590D+02  0.505790D+01
      2  -0.414702D+01 -0.137464D+01 -0.521028D+01  0.379227D+02 -0.158710D+01
      3   0.474279D+01  0.159795D+01  0.556132D+01 -0.202637D+02 -0.347079D+01
      4   0.884782D+01 -0.174026D+01  0.997668D+01 -0.190484D+02  0.288654D+01
      5  -0.335529D+01  0.453865D+01 -0.436212D+01  0.552650D+01 -0.313223D+01
      6   0.437439D+01 -0.160839D+01  0.516398D+01 -0.253347D+02  0.102632D+02
               241           242           243 
      1  -0.562106D+00  0.231635D+00 -0.100361D+01
      2  -0.166719D+01  0.406477D+01  0.183212D+01
      3   0.222930D+01 -0.429641D+01 -0.828507D+00
      4   0.987543D+00 -0.196022D+01 -0.136340D+01
      5   0.236820D+01 -0.544916D+00  0.774214D+00
      6  -0.460306D+00  0.352425D+01 -0.162669D+00
 Leave Link  716 at Thu Jul 22 20:28:42 2021, MaxMem= 17179869184 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.117960D+03  0.101897D+01 -0.244087D+00
      2   0.101897D+01  0.113186D+03  0.125845D+01
      3  -0.244087D+00  0.125845D+01  0.109525D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.680317D-01 -0.443632D+01  0.182236D+01
      2   0.167742D+01 -0.390694D+01  0.205493D+02
      3   0.488330D+01 -0.168619D+02  0.446767D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.231667D+02 -0.132423D+02  0.109508D+02
      2  -0.150584D+02  0.612456D+01 -0.811431D+01
      3  -0.810829D+01  0.711772D+01 -0.283654D+01
      4  -0.177221D+02  0.323813D+02 -0.163214D+02
      5   0.790663D+01 -0.164351D+02  0.417661D+02
      6  -0.102080D+02 -0.137992D+02 -0.480637D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.137094D+01  0.142757D+01  0.530119D+01  0.998621D+00  0.242803D+01
      2   0.142757D+01  0.255617D+01  0.301898D+00  0.242803D+01 -0.562534D+01
      3   0.530119D+01  0.301898D+00  0.255415D+01  0.483195D-02 -0.145371D+01
                 6             7             8             9            10 
      1   0.483195D-02  0.627169D+01  0.490889D+00  0.202088D+01 -0.420918D+01
      2  -0.145371D+01  0.490889D+00 -0.152634D+01  0.371722D+01 -0.198786D+01
      3   0.298475D+01  0.202088D+01  0.371722D+01 -0.104359D+01 -0.397974D+01
                11            12            13            14            15 
      1  -0.198786D+01 -0.397974D+01 -0.224519D+01  0.618333D+00  0.202965D+01
      2   0.850739D+00  0.199342D+01  0.618333D+00  0.637445D+00  0.288355D+01
      3   0.199342D+01 -0.729112D+00  0.202965D+01  0.288355D+01 -0.356789D+01
                16            17            18            19            20 
      1  -0.385920D+01  0.204882D+01 -0.207162D+01  0.214397D+01 -0.364314D+00
      2   0.204882D+01  0.236583D+01 -0.268298D+01 -0.364314D+00 -0.118435D+01
      3  -0.207162D+01 -0.268298D+01 -0.136637D+01  0.383933D+01 -0.257724D+01
                21            22            23            24            25 
      1   0.383933D+01  0.516701D+00 -0.296857D+00 -0.352998D+01  0.255672D+01
      2  -0.257724D+01 -0.296857D+00  0.542589D+00 -0.246352D+01 -0.230336D+01
      3  -0.680506D+00 -0.352998D+01 -0.246352D+01  0.228797D+01 -0.204095D+00
                26            27            28            29            30 
      1  -0.230336D+01 -0.204095D+00 -0.355468D+01 -0.225026D+01  0.221718D+01
      2  -0.312442D+01  0.150369D+01 -0.225026D+01  0.371822D+01  0.907499D+00
      3   0.150369D+01  0.199386D+01  0.221718D+01  0.907499D+00 -0.227923D+00
                31            32            33            34            35 
      1  -0.949375D+00  0.303215D+01  0.909287D+00  0.192791D+01  0.103570D+01
      2   0.303215D+01 -0.319664D+01  0.182235D+01  0.103570D+01  0.153775D+01
      3   0.909287D+00  0.182235D+01  0.178519D+01  0.379828D-02  0.169201D+01
                36            37            38            39            40 
      1   0.379828D-02  0.117389D+01 -0.100374D+01 -0.378220D+01  0.109881D+00
      2   0.169201D+01 -0.100374D+01 -0.308462D+01 -0.150890D+01 -0.394141D+01
      3  -0.273337D+01 -0.378220D+01 -0.150890D+01 -0.159867D+01 -0.163089D+01
                41            42            43            44            45 
      1  -0.394141D+01 -0.163089D+01 -0.309848D+01 -0.152938D+01 -0.170571D+01
      2   0.471823D+01 -0.131768D+01 -0.152938D+01 -0.254956D+00 -0.329901D+01
      3  -0.131768D+01 -0.254210D+01 -0.170571D+01 -0.329901D+01  0.203855D+01
                46            47            48            49            50 
      1   0.812060D+01  0.308801D+01  0.117299D+00  0.281191D+01 -0.886979D+00
      2   0.308801D+01 -0.296218D+01 -0.274681D+01 -0.886979D+00 -0.629215D+00
      3   0.117299D+00 -0.274681D+01 -0.149930D+01 -0.164949D+01 -0.909278D+00
                51            52            53            54            55 
      1  -0.164949D+01  0.210901D+00 -0.129074D+01  0.266811D+00 -0.158027D+01
      2  -0.909278D+00 -0.129074D+01 -0.667512D+00  0.441318D+00 -0.948162D+00
      3   0.958953D-01  0.266811D+00  0.441318D+00  0.151704D+01  0.138918D+01
                56            57            58            59            60 
      1  -0.948162D+00  0.138918D+01 -0.151250D+01  0.343087D+01  0.916145D+00
      2   0.450274D+01  0.123099D+01  0.343087D+01 -0.296235D+01  0.144758D+01
      3   0.123099D+01  0.128877D+01  0.916145D+00  0.144758D+01  0.196861D+01
                61            62            63            64            65 
      1   0.387883D+00 -0.414767D+00  0.950899D+00  0.144933D+01  0.190084D+01
      2  -0.414767D+00  0.182960D+01  0.725961D+00  0.190084D+01 -0.317449D+00
      3   0.950899D+00  0.725961D+00 -0.524579D+01  0.457981D+01 -0.121437D+01
                66            67            68            69            70 
      1   0.457981D+01  0.132063D+01 -0.754155D+00 -0.130025D+01  0.381411D+01
      2  -0.121437D+01 -0.754155D+00 -0.593814D+00 -0.293956D+01 -0.139743D+01
      3   0.908175D+00 -0.130025D+01 -0.293956D+01  0.230629D+01  0.852096D+00
                71            72            73            74            75 
      1  -0.139743D+01  0.852096D+00 -0.163780D+02 -0.306567D+01  0.106033D+01
      2  -0.298040D+01  0.285994D+01 -0.306567D+01 -0.127521D+01  0.879659D+00
      3   0.285994D+01  0.624288D+00  0.106033D+01  0.879659D+00 -0.114357D+01
                76            77            78            79            80 
      1  -0.337625D+01 -0.345837D+01  0.492533D+00  0.405498D+00  0.185257D+00
      2  -0.345837D+01 -0.210290D+01  0.594409D+00  0.185257D+00  0.157405D+00
      3   0.492533D+00  0.594409D+00 -0.381192D+00 -0.298480D+01 -0.845037D+00
                81            82            83            84            85 
      1  -0.298480D+01 -0.473217D+00 -0.177604D+01 -0.418365D+01 -0.222787D+01
      2  -0.845037D+00 -0.177604D+01 -0.129141D+01 -0.244387D+00 -0.199440D+01
      3   0.269656D-01 -0.418365D+01 -0.244387D+00 -0.179158D+01 -0.406748D+00
                86            87            88            89            90 
      1  -0.199440D+01 -0.406748D+00 -0.487887D+01 -0.382874D+00 -0.218337D+01
      2   0.519826D+01  0.168798D+01 -0.382874D+00  0.166916D+01 -0.264424D+01
      3   0.168798D+01 -0.275386D+01 -0.218337D+01 -0.264424D+01  0.220620D+01
                91            92            93            94            95 
      1   0.182950D+01 -0.625171D+00 -0.457416D+01 -0.902188D+00 -0.170056D+01
      2  -0.625171D+00 -0.147131D+01 -0.627854D+00 -0.170056D+01  0.509006D+01
      3  -0.457416D+01 -0.627854D+00 -0.181477D+01 -0.895800D+00  0.129023D+01
                96            97            98            99           100 
      1  -0.895800D+00 -0.430542D+01 -0.785858D+00 -0.170830D+01  0.241532D+01
      2   0.129023D+01 -0.785858D+00  0.197883D+01 -0.277116D+01 -0.359826D+00
      3  -0.330428D+01 -0.170830D+01 -0.277116D+01 -0.148175D+00 -0.204394D+01
               101           102           103           104           105 
      1  -0.359826D+00 -0.204394D+01 -0.920500D+00  0.660296D+00  0.119777D+01
      2   0.112906D+01  0.619403D+00  0.660296D+00 -0.112317D+01 -0.926192D+00
      3   0.619403D+00  0.335309D+01  0.119777D+01 -0.926192D+00 -0.249730D+01
               106           107           108           109           110 
      1  -0.166755D+01  0.439788D+00  0.211420D+01 -0.437087D+01  0.976389D+00
      2   0.439788D+00 -0.822397D+00 -0.100888D+01  0.976389D+00 -0.137364D+01
      3   0.211420D+01 -0.100888D+01 -0.613693D+01 -0.333649D+01  0.126212D+01
               111           112           113           114           115 
      1  -0.333649D+01  0.797006D+00 -0.937324D+00  0.830672D+00 -0.196938D+01
      2   0.126212D+01 -0.937324D+00  0.974652D+00 -0.866346D+00  0.746855D+00
      3  -0.365342D+01  0.830672D+00 -0.866346D+00  0.803373D+00 -0.202522D+01
               116           117           118           119           120 
      1   0.746855D+00 -0.202522D+01 -0.981306D+00  0.194353D+01 -0.610253D+00
      2  -0.570403D+00  0.691763D+00  0.194353D+01 -0.373193D+01  0.696523D+00
      3   0.691763D+00 -0.372086D+01 -0.610253D+00  0.696523D+00 -0.863354D+00
               121           122           123           124           125 
      1   0.143002D+01 -0.183036D+01  0.237269D+00 -0.336150D+00  0.323827D-01
      2  -0.183036D+01  0.868794D+01 -0.167544D+01  0.323827D-01 -0.787552D+00
      3   0.237269D+00 -0.167544D+01  0.125050D+01 -0.415145D+00  0.104465D+01
               126           127           128           129           130 
      1  -0.415145D+00  0.644221D+01  0.265956D+01 -0.209976D+01  0.132367D+01
      2   0.104465D+01  0.265956D+01  0.237457D+01 -0.119793D+01  0.137484D+01
      3  -0.334013D+00 -0.209976D+01 -0.119793D+01  0.194179D+01 -0.647541D+00
               131           132           133           134           135 
      1   0.137484D+01 -0.647541D+00 -0.178143D+01 -0.861028D+00  0.148597D+01
      2   0.194440D+01 -0.850493D+00 -0.861028D+00 -0.106573D+01  0.686041D+00
      3  -0.850493D+00  0.369120D+00  0.148597D+01  0.686041D+00 -0.126574D+01
               136           137           138           139           140 
      1  -0.199885D+00  0.115759D+00  0.123622D+01 -0.382640D+00 -0.317294D+00
      2   0.115759D+00 -0.594123D+00 -0.381301D+00 -0.317294D+00  0.179140D+00
      3   0.123622D+01 -0.381301D+00 -0.129099D+01  0.149965D+00  0.823005D+00
               141           142           143           144           145 
      1   0.149965D+00  0.164439D+01 -0.209514D+00 -0.143448D+01 -0.270392D+01
      2   0.823005D+00 -0.209514D+00  0.140285D+01  0.101699D+01  0.261221D+01
      3  -0.918791D+00 -0.143448D+01  0.101699D+01  0.894302D+01  0.214658D+00
               146           147           148           149           150 
      1   0.261221D+01  0.214658D+00  0.272721D+01 -0.301063D+01 -0.476900D+00
      2  -0.352136D+01 -0.700682D+00 -0.301063D+01  0.719928D+01  0.494439D+00
      3  -0.700682D+00 -0.803581D+00 -0.476900D+00  0.494439D+00  0.100423D+01
               151           152           153           154           155 
      1  -0.774831D+00  0.523263D+00 -0.424389D+00  0.363308D+01  0.232494D+01
      2   0.523263D+00 -0.107021D+01  0.879414D+00  0.232494D+01  0.261521D+01
      3  -0.424389D+00  0.879414D+00  0.566881D+00  0.250875D+01  0.145364D+01
               156           157           158           159           160 
      1   0.250875D+01  0.143571D+01  0.211326D+01  0.902129D+00  0.233443D+01
      2   0.145364D+01  0.211326D+01  0.291629D+01  0.184401D+01  0.135440D+01
      3   0.232060D+01  0.902129D+00  0.184401D+01  0.183307D+01  0.218115D+01
               161           162           163           164           165 
      1   0.135440D+01  0.218115D+01 -0.482309D+01 -0.175068D+01 -0.321549D+01
      2   0.210946D+01  0.241934D+01 -0.175068D+01 -0.207317D+01 -0.117489D+01
      3   0.241934D+01  0.345786D+01 -0.321549D+01 -0.117489D+01 -0.306563D+01
               166           167           168           169           170 
      1  -0.502001D+00 -0.887509D+00 -0.159914D+00 -0.283077D+01 -0.782257D+00
      2  -0.887509D+00 -0.414649D+00 -0.399328D+00 -0.782257D+00 -0.946532D+00
      3  -0.159914D+00 -0.399328D+00 -0.346812D+00 -0.239533D+01 -0.149280D+01
               171           172           173           174           175 
      1  -0.239533D+01 -0.709236D+00 -0.111041D+01  0.116298D-01 -0.934690D+00
      2  -0.149280D+01 -0.111041D+01 -0.915244D+00  0.400505D+00 -0.812008D+00
      3  -0.332992D+01  0.116298D-01  0.400505D+00 -0.417230D+00  0.319357D+00
               176           177           178           179           180 
      1  -0.812008D+00  0.319357D+00  0.605643D+00  0.813488D+00 -0.332764D+00
      2  -0.535690D+01  0.200435D+01  0.813488D+00  0.417649D+01 -0.193023D+01
      3   0.200435D+01 -0.169626D+01 -0.332764D+00 -0.193023D+01  0.263119D+01
               181           182           183           184           185 
      1   0.292975D+01 -0.155140D+01 -0.208323D+01 -0.972327D+00  0.127648D+01
      2  -0.155140D+01  0.266063D+01  0.165362D+01  0.127648D+01 -0.187092D+01
      3  -0.208323D+01  0.165362D+01  0.235266D+01  0.813950D+00 -0.939090D+00
               186           187           188           189           190 
      1   0.813950D+00 -0.195300D+01  0.975953D+00  0.139008D+01  0.616023D+00
      2  -0.939090D+00  0.975953D+00 -0.164307D+01 -0.203069D+01  0.914159D+00
      3  -0.121255D+01  0.139008D+01 -0.203069D+01 -0.314694D+01 -0.104977D+01
               191           192           193           194           195 
      1   0.914159D+00 -0.104977D+01  0.184394D+01  0.240458D+00 -0.448670D+00
      2   0.211048D+00 -0.226658D+00  0.240458D+00  0.102160D+01 -0.132845D+01
      3  -0.226658D+00  0.115239D+01 -0.448670D+00 -0.132845D+01  0.184582D+01
               196           197           198           199           200 
      1  -0.220328D+01 -0.941747D-01  0.181239D+01  0.121673D+01 -0.115751D+01
      2  -0.941747D-01 -0.160477D+01  0.154431D+01 -0.115751D+01  0.112112D+01
      3   0.181239D+01  0.154431D+01 -0.491788D+01  0.552670D-01  0.242004D+00
               201           202           203           204           205 
      1   0.552670D-01 -0.282559D+01  0.276237D+01  0.557237D+00  0.872475D-01
      2   0.242004D+00  0.276237D+01 -0.714914D+01 -0.115394D+01  0.380671D+00
      3   0.348474D+00  0.557237D+00 -0.115394D+01 -0.109675D+01  0.703492D+00
               206           207           208           209           210 
      1   0.380671D+00  0.703492D+00  0.707619D+01  0.835327D+00  0.251637D+01
      2  -0.969872D+00 -0.801764D+00  0.835327D+00  0.101699D+01  0.241163D+00
      3  -0.801764D+00 -0.716670D+00  0.251637D+01  0.241163D+00  0.171491D+01
               211           212           213           214           215 
      1   0.231771D+01  0.134904D+01  0.678848D+00  0.487440D+01  0.326419D+00
      2   0.134904D+01  0.217918D+00  0.379691D+00  0.326419D+00  0.725807D+00
      3   0.678848D+00  0.379691D+00  0.902671D+00  0.241498D+01  0.572379D+00
               216           217           218           219           220 
      1   0.241498D+01 -0.446870D+01  0.128902D+00  0.210987D+01  0.332835D+00
      2   0.572379D+00  0.128902D+00 -0.143972D+01  0.946501D+00 -0.848378D+00
      3   0.211738D+01  0.210987D+01  0.946501D+00 -0.289046D+01  0.382809D+00
               221           222           223           224           225 
      1  -0.848378D+00  0.382809D+00  0.188594D+01  0.350987D+00 -0.151952D+01
      2  -0.128487D+00  0.189542D+00  0.350987D+00  0.308176D+00 -0.138079D+00
      3   0.189542D+00  0.317614D+00 -0.151952D+01 -0.138079D+00  0.264301D+01
               226           227           228           229           230 
      1   0.341299D+01  0.158811D+00  0.322164D+01  0.115498D+01  0.799927D+00
      2   0.158811D+00  0.109803D+01 -0.355088D-01  0.799927D+00  0.150895D+00
      3   0.322164D+01 -0.355088D-01  0.396026D+01  0.964475D+00  0.630296D+00
               231           232           233           234           235 
      1   0.964475D+00  0.255322D+01  0.115636D+00  0.292458D+01  0.621860D+00
      2   0.630296D+00  0.115636D+00  0.594509D+00  0.356957D+00 -0.113495D+01
      3   0.203936D+01  0.292458D+01  0.356957D+00  0.555026D+01  0.579961D+00
               236           237           238           239           240 
      1  -0.113495D+01  0.579961D+00 -0.136968D+01  0.159019D+01 -0.240734D+00
      2   0.138118D+01 -0.192419D+00  0.159019D+01 -0.832517D+01  0.113160D+01
      3  -0.192419D+00  0.574825D+00 -0.240734D+00  0.113160D+01 -0.147665D+01
               241           242           243 
      1   0.983792D-01  0.230873D+00  0.283426D+00
      2   0.230873D+00 -0.821708D+00 -0.507105D+00
      3   0.283426D+00 -0.507105D+00 -0.210278D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.137434D+01  0.976085D+00  0.153378D+01  0.220974D+01 -0.557763D+01
      2   0.872008D+01 -0.242650D+00  0.374494D+01  0.148243D+01 -0.404076D+01
      3   0.971335D+00 -0.677649D+01 -0.173600D+01  0.120510D+01  0.681262D+01
                 6             7             8             9            10 
      1  -0.375668D+01  0.367575D+01  0.404779D+01  0.143615D+01 -0.387511D+01
      2   0.294802D+01 -0.369707D+01  0.320652D+01 -0.268303D+01 -0.193137D+01
      3   0.255324D+01 -0.225314D+01  0.284725D+01 -0.342477D+01 -0.208386D+01
                11            12            13            14            15 
      1  -0.244620D+01  0.728448D+00  0.113190D+01  0.431701D+01 -0.110931D+02
      2  -0.319304D+01  0.200858D+01 -0.332750D+01 -0.466429D+00  0.140856D+01
      3  -0.329431D+01  0.380765D+01  0.691781D+01  0.524152D+00  0.133996D+01
                16            17            18            19            20 
      1  -0.532161D+01  0.147462D+00 -0.175752D+01  0.398057D+01  0.400711D+01
      2  -0.600431D+01  0.366849D+01 -0.562415D+01  0.451515D+01 -0.115444D+01
      3   0.373160D+01  0.253180D+01 -0.551836D-01 -0.450359D+00 -0.427829D+01
                21            22            23            24            25 
      1   0.457795D+01 -0.351849D+00  0.161133D+01  0.533303D+01  0.522333D+01
      2   0.107182D+02 -0.504965D+00 -0.705150D+00 -0.754037D+01  0.354477D+01
      3   0.321713D+00  0.736315D+00 -0.266443D+00 -0.163414D+01  0.677701D+00
                26            27            28            29            30 
      1   0.102930D+02 -0.165633D+01 -0.476093D+01 -0.634736D+01 -0.112793D+01
      2  -0.750089D+01  0.446597D+00 -0.187544D+01 -0.183438D+01  0.499062D+01
      3  -0.187854D+01  0.408355D+00 -0.803270D+01 -0.122663D+02  0.560843D+01
                31            32            33            34            35 
      1  -0.584081D+01 -0.225187D+01 -0.107779D+02 -0.675003D+00 -0.536624D+01
      2  -0.587218D+00  0.484443D+01  0.297086D+01  0.475822D+00  0.234882D+01
      3  -0.357271D+01  0.119524D+02  0.546699D+00  0.523180D+01  0.164114D+01
                36            37            38            39            40 
      1   0.651036D+01  0.386913D+01  0.743667D+00  0.494981D+00  0.292540D+00
      2  -0.425824D+01 -0.555158D+01 -0.995609D+00  0.452694D+01 -0.110737D+01
      3  -0.151908D+01  0.515950D+01 -0.268755D+01 -0.385324D+01  0.577996D+01
                41            42            43            44            45 
      1   0.526187D+01  0.930252D+00 -0.456377D+00  0.833285D+01 -0.750341D+01
      2   0.189990D+01 -0.134932D+01 -0.253901D+01 -0.745504D+00  0.324327D+01
      3  -0.928855D+01 -0.156842D+01 -0.319435D+01 -0.174776D+01 -0.219545D+00
                46            47            48            49            50 
      1   0.278718D+01  0.170523D+01  0.426113D+01  0.402219D+01 -0.124697D+02
      2  -0.344190D+01  0.689434D+01 -0.294713D+01  0.530443D+01 -0.276149D+01
      3   0.206564D+00  0.186977D+01 -0.654216D+01  0.647109D+01  0.230471D+01
                51            52            53            54            55 
      1  -0.152090D+01  0.142765D+01  0.943960D+01  0.133485D+02 -0.495325D+01
      2  -0.805325D+00 -0.105543D+02  0.640866D+00  0.530722D+01  0.241247D+01
      3  -0.251925D+01 -0.631626D+01 -0.270865D+01  0.302309D+00 -0.509822D+01
                56            57            58            59            60 
      1   0.595714D+01 -0.202461D+01  0.443338D+01 -0.557396D+01 -0.573544D+01
      2   0.862792D+00 -0.361425D+01  0.836865D+00 -0.668541D+01 -0.207611D+01
      3   0.334801D+01  0.498459D+01  0.651246D+01  0.125109D+01  0.140476D+01
                61            62            63            64            65 
      1  -0.285121D+00  0.492450D+01  0.105656D+02  0.662494D+01 -0.144663D+01
      2  -0.749640D+01  0.113548D+00  0.734583D+01 -0.201651D+01  0.452285D+01
      3   0.341973D+01  0.174703D+00  0.255332D+01 -0.187279D+01 -0.903801D+01
                66            67            68            69            70 
      1   0.346576D+01 -0.258789D+01 -0.649234D+01  0.745936D+01  0.302066D+01
      2   0.762879D+01  0.264108D+01  0.181974D+01 -0.378493D+01  0.244254D+01
      3  -0.125553D+02 -0.183779D+01  0.160248D+01  0.822508D+00 -0.101975D+02
                71            72            73            74            75 
      1   0.145314D+02 -0.239787D+01 -0.460650D-01 -0.705065D+00 -0.437724D+01
      2  -0.517870D+01  0.746865D+00  0.348298D+01  0.384306D+00  0.133467D+02
      3  -0.150250D+00  0.109670D+00 -0.314434D+01 -0.143139D+02  0.121883D+00
                76            77            78            79            80 
      1  -0.266169D+01  0.236877D+01 -0.170251D+01  0.835048D+00 -0.938355D+00
      2  -0.918553D+00  0.268840D+01  0.345563D+01  0.436354D+01  0.678367D+00
      3  -0.356342D+01 -0.746915D+01  0.171250D+00  0.230174D+00  0.671571D+00
                81            82            83            84            85 
      1  -0.476911D+01 -0.218252D+01  0.476678D-01 -0.164402D+01 -0.901301D-02
      2  -0.151744D+01 -0.114505D+02 -0.642706D+00 -0.474827D+01 -0.194350D+01
      3  -0.249689D+01  0.562997D+01  0.350160D+01  0.300125D+01  0.111675D+02
                86            87            88            89            90 
      1   0.841366D+00 -0.453218D+01 -0.350526D+01 -0.398536D+00  0.288558D+01
      2   0.556022D+01 -0.796898D+01 -0.119802D+02 -0.706142D+01  0.805842D+01
      3  -0.142798D+02 -0.578973D+01  0.431785D+01 -0.557591D+01  0.944413D+01
                91            92            93            94            95 
      1  -0.844135D+01 -0.381992D+01 -0.364513D+01 -0.571907D+01  0.150352D+02
      2  -0.100585D+02 -0.347539D+00  0.123905D+02  0.197502D+00  0.471360D+01
      3  -0.284801D+01 -0.103571D+00  0.842531D+01  0.450282D+01 -0.367777D+01
                96            97            98            99           100 
      1  -0.524224D+01 -0.370336D+01  0.287185D+01 -0.825293D+01  0.713679D+00
      2  -0.119487D+01  0.621448D+01 -0.174750D+01  0.315516D+01  0.725216D+01
      3  -0.276962D-01  0.683878D+01 -0.150563D+01  0.487985D+01  0.116710D+01
               101           102           103           104           105 
      1  -0.451803D+01 -0.228171D+01 -0.652236D+00  0.411377D+01  0.131585D+00
      2  -0.154628D+01 -0.236290D+01 -0.266413D+01  0.134810D+01  0.153278D+01
      3  -0.133810D+01 -0.795710D+00  0.643723D+00  0.369442D+00  0.338685D+00
               106           107           108           109           110 
      1  -0.175421D+01  0.487632D+01  0.361357D+01 -0.213762D+00  0.377777D+01
      2  -0.533638D+01  0.128772D+01  0.368417D+01 -0.106732D+02  0.147192D+01
      3  -0.307351D+00  0.128859D+01  0.750354D+00 -0.306451D+01 -0.183894D+01
               111           112           113           114           115 
      1  -0.200506D+00  0.119375D+01 -0.168267D+01 -0.271744D+00  0.147044D+00
      2  -0.405863D+01  0.219376D+01 -0.174176D+01  0.175873D+01 -0.524151D+01
      3  -0.163156D+01  0.133497D+01  0.116945D+00  0.483892D+00 -0.149659D+01
               116           117           118           119           120 
      1   0.172979D+01  0.587983D+00 -0.392298D+00  0.294963D+01  0.289029D+01
      2   0.152256D+01 -0.334846D+01 -0.196654D+01  0.221987D+01  0.237028D-01
      3  -0.493566D+00 -0.135336D+01 -0.485479D+01  0.597732D+01 -0.168938D+01
               121           122           123           124           125 
      1   0.186457D+01 -0.551838D+01 -0.424748D+01  0.100764D+01 -0.537347D-01
      2   0.209069D+01 -0.335058D+01  0.432391D+00 -0.141235D+01  0.931125D+00
      3   0.741456D+01 -0.983582D+01  0.142215D+01 -0.947534D+00  0.706948D+00
               126           127           128           129           130 
      1  -0.713204D+00  0.270003D+01 -0.850402D+00 -0.456299D+01  0.163518D-01
      2  -0.231130D+00  0.634601D+01  0.134320D+01  0.175046D+01  0.725384D+00
      3  -0.185810D+01  0.146666D+02  0.124357D+01 -0.356674D+01  0.243619D+01
               131           132           133           134           135 
      1   0.427022D+00 -0.726302D+00 -0.273800D+01  0.134164D+01  0.178354D+01
      2   0.698633D+00  0.161336D+00 -0.198011D+01 -0.383243D+00 -0.157804D+00
      3   0.100624D+01 -0.943536D+00 -0.392854D+01 -0.678443D+00  0.301962D+01
               136           137           138           139           140 
      1  -0.146237D+01  0.383695D+00  0.239297D+01  0.584893D+00 -0.174427D+01
      2  -0.120128D+01  0.673368D+00  0.110527D+01  0.900431D+00 -0.443213D+00
      3   0.196112D+00 -0.188823D+01  0.948763D+00  0.179425D-01 -0.149363D+01
               141           142           143           144           145 
      1   0.350470D+01  0.235211D+01  0.172375D+01 -0.164494D+02  0.317354D+01
      2   0.205247D+01 -0.311279D+01 -0.953014D+00 -0.961649D+01  0.326955D+01
      3   0.984549D+00  0.241896D+01  0.187397D+01 -0.236244D+01 -0.140372D+01
               146           147           148           149           150 
      1  -0.611664D+01  0.296015D+00 -0.393618D+01  0.106321D+02 -0.239546D+01
      2  -0.333626D+01  0.216417D+01 -0.370222D+01  0.512859D+01 -0.105964D+01
      3  -0.195612D+01 -0.794960D+00  0.361120D+01  0.440735D+01 -0.476638D+00
               151           152           153           154           155 
      1   0.102754D+01 -0.294480D+01  0.635670D+00 -0.203728D+01  0.124298D+01
      2   0.854107D+00 -0.162102D+01  0.625377D+00 -0.199106D+01 -0.624059D+00
      3  -0.124879D+01 -0.112795D+01  0.239782D+00  0.502253D+01 -0.539853D+00
               156           157           158           159           160 
      1  -0.338048D+01 -0.211627D+00 -0.133229D+00 -0.352491D+01 -0.195865D+01
      2   0.158800D+01 -0.139146D+01 -0.302140D+00  0.127309D+01 -0.197391D+01
      3   0.278468D+01  0.266949D+01  0.665492D+00  0.394471D+00  0.364841D+01
               161           162           163           164           165 
      1   0.275883D+00 -0.404242D+01 -0.415172D+01  0.148772D+01 -0.553698D+01
      2   0.983854D+00  0.206493D+01 -0.531925D+01 -0.102076D+01  0.265415D+00
      3  -0.710588D+00  0.141006D+01  0.106767D+02 -0.254763D+00  0.623922D+01
               166           167           168           169           170 
      1   0.171719D+00 -0.346320D+00 -0.133525D+01 -0.419511D+01 -0.443425D-01
      2  -0.490938D+00 -0.950202D+00  0.168779D-01 -0.344537D+01 -0.539658D-01
      3   0.136137D+01  0.157971D+01  0.571378D+00  0.635856D+01  0.240034D+00
               171           172           173           174           175 
      1  -0.503690D+01  0.130637D+01  0.190172D+01 -0.125395D+01  0.180530D+01
      2  -0.290069D-01 -0.555025D+00 -0.158188D+01  0.112861D+01 -0.656910D+00
      3   0.451505D+01  0.920326D+00  0.849945D+00 -0.321207D-01  0.360703D+01
               176           177           178           179           180 
      1   0.107560D+02 -0.927901D+01 -0.105738D+01 -0.829128D+01  0.109260D+02
      2  -0.264382D+01  0.204150D+01 -0.365295D+00  0.248692D+01 -0.323174D+01
      3  -0.196948D+01  0.776642D+00 -0.235482D+01  0.153003D+01 -0.971663D+00
               181           182           183           184           185 
      1  -0.252076D+01 -0.156678D+01  0.378561D+01  0.211269D+00  0.380077D+00
      2   0.699932D+01 -0.276637D+01 -0.260773D+01 -0.213347D+01  0.210012D+01
      3  -0.957138D+01  0.306940D+01  0.544181D+01  0.423980D+01 -0.319341D+01
               186           187           188           189           190 
      1  -0.273002D+01  0.181324D+01 -0.279806D+00 -0.397043D+01 -0.121538D+01
      2   0.140239D+01 -0.507754D+01  0.232315D+01  0.283330D+01 -0.310678D+01
      3  -0.236961D+01  0.588443D+01 -0.216666D+01 -0.421742D+01 -0.301950D+01
               191           192           193           194           195 
      1  -0.378449D+00  0.547463D+00  0.248994D+00 -0.241216D+01  0.127838D+01
      2   0.663580D-01  0.291191D+01  0.912352D+00 -0.459355D+01  0.645806D+01
      3  -0.125418D+01  0.125423D+01  0.719997D+00 -0.495209D+01  0.474623D+01
               196           197           198           199           200 
      1   0.685566D+00  0.426492D+01 -0.360779D+01  0.314119D+00 -0.465817D+00
      2   0.461321D+00  0.576584D+01 -0.154251D+02  0.370013D+00  0.321869D+00
      3   0.459271D+00  0.633869D+01 -0.608256D+01  0.248795D+01 -0.330125D+01
               201           202           203           204           205 
      1   0.460578D+00 -0.602523D-01  0.142479D+01 -0.327990D+01  0.325642D+00
      2   0.159655D+01  0.637647D+00 -0.314881D+01 -0.404137D+01  0.786256D+00
      3  -0.665251D+00 -0.209699D+01  0.196064D+02  0.304235D+01 -0.760305D+00
               206           207           208           209           210 
      1   0.623943D+00 -0.673053D+00  0.168692D+01  0.835456D+00  0.824302D+00
      2  -0.184441D+01 -0.207137D+01  0.766313D+01  0.128466D+01  0.800985D+01
      3   0.313794D+01  0.166187D+01 -0.639119D+01 -0.561201D+01 -0.249221D+01
               211           212           213           214           215 
      1   0.576256D+00  0.676058D+00 -0.296935D+00  0.178674D+01  0.159456D+01
      2   0.189877D+01  0.104221D+01  0.343438D+01  0.522217D+01  0.180455D+01
      3  -0.355538D+01 -0.192966D+01 -0.126677D+01 -0.359594D+01 -0.355515D+01
               216           217           218           219           220 
      1   0.819543D+00  0.445529D+01 -0.393253D+01 -0.216155D+01 -0.231838D+01
      2   0.737340D+01  0.150389D+02 -0.977998D+00 -0.469845D+01 -0.118323D+01
      3  -0.314391D+01  0.801278D+01 -0.187211D+01 -0.324148D+01  0.304245D+00
               221           222           223           224           225 
      1   0.118778D+01 -0.170089D+00 -0.186633D+01  0.166046D+01  0.284101D+01
      2   0.274723D+01 -0.604554D+00 -0.725511D+01 -0.594522D+00  0.444295D+01
      3   0.162085D+01 -0.795668D+00 -0.322671D+01  0.125494D+00  0.221149D+01
               226           227           228           229           230 
      1   0.466916D+01  0.389604D+01  0.492318D+01  0.270859D+01  0.182043D+01
      2  -0.487166D+01 -0.877311D+00 -0.589755D+00 -0.207580D+01 -0.862316D+00
      3  -0.387248D+01 -0.310169D+01 -0.360827D+01 -0.128904D+01 -0.151768D+01
               231           232           233           234           235 
      1   0.272811D+01  0.407411D+01  0.396423D+01  0.767701D+01 -0.140248D+01
      2   0.681143D+00 -0.534623D+01  0.487337D-01  0.588423D-02 -0.181544D+00
      3  -0.158537D+01 -0.345975D+01 -0.178597D+01 -0.402151D+01  0.789644D-01
               236           237           238           239           240 
      1   0.268191D+01  0.101462D+01  0.300006D+01 -0.172794D+02 -0.351756D+01
      2   0.172403D+01  0.498040D+00  0.286593D+01 -0.189557D+01 -0.160275D+01
      3  -0.742234D+00 -0.364041D+00  0.324753D+01  0.656411D+01 -0.746225D+00
               241           242           243 
      1   0.625729D+00 -0.172848D+01 -0.217126D+01
      2  -0.532907D+00 -0.637362D+00 -0.101512D+01
      3   0.703645D-01  0.976905D+00  0.220575D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.928294D+01  0.306468D+01  0.122609D+02  0.417267D+01  0.743265D+01
      2  -0.616814D+00 -0.203831D+01 -0.804236D+01 -0.343880D+01 -0.212378D+01
      3   0.989975D+01 -0.102637D+01 -0.421856D+01 -0.733866D+00 -0.530887D+01
      4  -0.160298D+00  0.353605D+01 -0.467232D+01  0.526038D+01 -0.109300D+02
      5   0.106310D+02 -0.105754D+01  0.650540D+01  0.346600D+00  0.341255D+00
      6  -0.704929D+01  0.219344D+01 -0.130573D+01  0.249712D+01 -0.469599D+01
                 6             7             8             9            10 
      1  -0.411322D+01  0.156813D+02 -0.273813D+01  0.866045D+01  0.532491D+00
      2  -0.308080D+01 -0.862565D+01 -0.130628D+01 -0.424563D+01 -0.173618D-01
      3   0.719403D+01 -0.705563D+01  0.404441D+01 -0.441482D+01 -0.515129D+00
      4  -0.622837D+00 -0.423507D+01 -0.407563D+00  0.160332D+01  0.558895D+01
      5   0.548177D+01  0.769542D+01  0.465848D+01 -0.194398D+01 -0.126472D+01
      6  -0.346065D+01 -0.150482D+01 -0.402553D+01  0.276696D+01  0.680802D+01
                11            12            13            14            15 
      1   0.507490D+01  0.721607D+00  0.657312D+01  0.306596D+00 -0.110599D+02
      2  -0.199803D+01  0.324830D+01 -0.139128D+00  0.590086D+01 -0.334098D+01
      3  -0.307687D+01 -0.396990D+01 -0.643400D+01 -0.620746D+01  0.144009D+02
      4   0.315625D+01  0.332121D+01  0.221672D+00  0.979569D+00 -0.137300D+01
      5  -0.151761D+01  0.352527D+01 -0.185458D+01 -0.201028D+01 -0.324541D+01
      6  -0.134155D+01  0.364557D+00 -0.570931D+00  0.263273D+01 -0.418381D+01
                16            17            18            19            20 
      1  -0.119674D+02 -0.660275D+01 -0.132844D+01  0.572180D+01 -0.281817D+01
      2   0.426784D+01 -0.321108D+01  0.653626D+00  0.104550D+02 -0.990107D+01
      3   0.769952D+01  0.981382D+01  0.674810D+00 -0.161768D+02  0.127192D+02
      4   0.551818D+01 -0.372042D+01  0.237729D+01  0.396306D+01 -0.277353D+01
      5   0.193116D+01 -0.236203D+00  0.100978D+00 -0.888265D+01  0.304075D+01
      6   0.143035D+00 -0.107517D+00  0.980445D+01  0.396246D+01 -0.104338D+01
                21            22            23            24            25 
      1  -0.761458D+01 -0.943761D+01 -0.614961D+01  0.125262D+02 -0.134815D+01
      2  -0.403957D+01 -0.699982D+01 -0.566369D+01  0.108702D+01 -0.537544D+01
      3   0.116541D+02  0.164374D+02  0.118133D+02 -0.136132D+02  0.672359D+01
      4   0.295447D+01 -0.220259D+01 -0.286214D+01 -0.169869D+01  0.109452D+01
      5  -0.185542D+02  0.442094D+01  0.248403D+01  0.104514D+02 -0.126008D+02
      6   0.961807D+01 -0.238025D+01 -0.466356D+01  0.695575D+01  0.701645D+01
                26            27            28            29            30 
      1   0.656749D+01  0.209960D+01 -0.453833D+01 -0.146281D+02  0.524676D+01
      2   0.131558D+00  0.982629D+01 -0.538342D+01  0.232342D+02  0.651513D+00
      3  -0.669905D+01 -0.119259D+02  0.992175D+01 -0.860618D+01 -0.589827D+01
      4  -0.185720D+01  0.316883D+01 -0.164134D+02 -0.103808D+02  0.109366D+02
      5   0.724100D+01  0.273825D+01  0.106885D+02  0.707133D+01 -0.313577D+01
      6   0.476214D+01 -0.467898D+01  0.134803D+02 -0.112640D+01 -0.443282D+01
                31            32            33            34            35 
      1  -0.960827D+01  0.146580D+02 -0.185374D+00  0.461128D+01  0.133240D+01
      2   0.162956D+02 -0.205980D+02  0.811202D+01  0.979732D+00  0.720319D+01
      3  -0.668734D+01  0.593996D+01 -0.792664D+01 -0.559101D+01 -0.853559D+01
      4  -0.301453D+01  0.113328D+02  0.142792D+01  0.949098D+01  0.348200D+01
      5   0.282283D+01 -0.347430D+01  0.155419D+00 -0.363475D+01  0.467852D+00
      6  -0.176070D+01  0.817287D+01  0.139788D+01 -0.281239D+01  0.339811D+01
                36            37            38            39            40 
      1  -0.768654D+01  0.838438D+00  0.440087D+01  0.199005D+00  0.249567D+01
      2   0.628719D+01  0.158241D+01 -0.874146D+01 -0.315712D+01 -0.521671D+01
      3   0.139936D+01 -0.242085D+01  0.434058D+01  0.295812D+01  0.272104D+01
      4   0.287256D+01  0.177685D+01 -0.668326D+01 -0.102514D+02 -0.582301D+01
      5  -0.181855D+01 -0.397609D+01 -0.756810D+01 -0.862453D+01 -0.413177D+01
      6  -0.101723D+02 -0.115222D+02 -0.102709D+02 -0.364709D+01 -0.734681D+01
                41            42            43            44            45 
      1  -0.806487D+01 -0.150318D-01 -0.261790D+01 -0.114984D+01  0.259714D+01
      2   0.114330D+02 -0.333891D+00 -0.674123D-01 -0.885884D+00 -0.772537D+01
      3  -0.336815D+01  0.348923D+00  0.268531D+01  0.203572D+01  0.512823D+01
      4  -0.232232D+01 -0.450670D+01 -0.848497D+01 -0.484558D+01 -0.103331D+02
      5  -0.489741D+01 -0.659363D+01 -0.711721D+01 -0.827999D+01 -0.454975D+01
      6   0.110011D+01 -0.763095D+01 -0.570159D+01 -0.108349D+02  0.282460D+01
                46            47            48            49            50 
      1  -0.529763D+02 -0.707613D+01  0.314468D+01 -0.179946D+02  0.331600D+00
      2   0.247811D+02 -0.103330D+01 -0.308466D+01  0.878859D+01 -0.311379D+01
      3   0.281952D+02  0.810943D+01 -0.600238D-01  0.920601D+01  0.278219D+01
      4  -0.132216D+02 -0.877981D+01  0.196140D+01  0.119431D-01 -0.401242D+01
      5   0.567854D+01  0.428829D+01 -0.771041D+01  0.274267D+01  0.755293D+00
      6   0.470543D+00  0.922451D+00 -0.532429D+01  0.331946D+01 -0.470358D+01
                51            52            53            54            55 
      1   0.111715D+02  0.741785D+00  0.951495D+01 -0.119966D+01  0.245779D+01
      2  -0.933449D+00  0.162807D+01 -0.513280D+01 -0.156258D+01 -0.681360D+01
      3  -0.102381D+02 -0.236985D+01 -0.438215D+01  0.276224D+01  0.435581D+01
      4   0.199445D+01 -0.930545D+00  0.364391D+01 -0.270193D+01  0.107932D+01
      5  -0.417151D+01  0.379364D+01 -0.936567D+00 -0.141098D+00 -0.275696D+01
      6  -0.246524D+01 -0.255104D+00  0.377567D+00 -0.605299D+01  0.381876D+01
                56            57            58            59            60 
      1  -0.742723D+01 -0.665779D+01  0.139352D+01 -0.201334D+01 -0.808312D+01
      2   0.159835D+02  0.204948D+01  0.868323D+01 -0.113206D+02 -0.208768D-01
      3  -0.855630D+01  0.460831D+01 -0.100767D+02  0.133340D+02  0.810400D+01
      4  -0.119894D+02  0.644620D+00 -0.828788D+01  0.168221D+02 -0.134200D+01
      5  -0.151046D+01  0.617099D+00 -0.510795D+00  0.303112D+01 -0.546366D+00
      6   0.932608D+01  0.327610D+01  0.379139D+01  0.442244D+00  0.864790D+01
                61            62            63            64            65 
      1   0.205639D+01 -0.280366D+01  0.982095D+01  0.537422D+01 -0.542975D+01
      2  -0.482323D+01  0.765262D+01  0.146474D+02  0.398124D+01  0.253656D+01
      3   0.276684D+01 -0.484896D+01 -0.244683D+02 -0.935546D+01  0.289320D+01
      4   0.350820D+01 -0.362238D+01  0.532777D+01 -0.505858D+01 -0.872041D+01
      5   0.840777D+00  0.541773D+00  0.124682D+02 -0.852008D+01 -0.776121D+01
      6   0.862749D+00  0.552409D+01 -0.829272D+01 -0.201263D+02  0.752676D+01
                66            67            68            69            70 
      1  -0.929044D+01 -0.479451D+01 -0.242397D+01 -0.276786D+01 -0.748425D+01
      2   0.109131D+02  0.128531D+01 -0.280036D+01  0.169155D+02  0.101181D+02
      3  -0.162268D+01  0.350920D+01  0.522433D+01 -0.141477D+02 -0.263384D+01
      4  -0.181020D+02 -0.534061D+01  0.214333D+01  0.857494D+01 -0.154892D+02
      5  -0.169846D+02 -0.354238D+01  0.692438D+01  0.575337D+00 -0.140993D+02
      6  -0.167484D+00  0.720843D+01  0.143727D+02 -0.527852D+01 -0.408398D+00
                71            72            73            74            75 
      1  -0.581622D+01  0.310812D+01  0.104525D+03  0.133581D+02 -0.387275D+01
      2   0.207309D+02 -0.748682D+01 -0.507173D+02 -0.383185D+01  0.290881D+01
      3  -0.149147D+02  0.437871D+01 -0.538081D+02 -0.952624D+01  0.963938D+00
      4   0.950861D+01 -0.431754D+01  0.177351D+02  0.211299D+02 -0.192623D+01
      5  -0.772837D+00 -0.126185D+01 -0.915226D+01 -0.279438D+01  0.189118D+02
      6  -0.958019D+01 -0.580543D+01 -0.495876D+01 -0.285408D+01  0.334785D+01
                76            77            78            79            80 
      1   0.164154D+02  0.135557D+02 -0.287791D+01  0.158672D+01 -0.196309D+01
      2  -0.675814D+01 -0.139582D+01  0.151138D+01  0.182720D+01  0.100309D+01
      3  -0.965730D+01 -0.121599D+02  0.136653D+01 -0.341392D+01  0.960006D+00
      4   0.245340D+02  0.128502D+02 -0.279790D+01 -0.270621D+01 -0.189261D+01
      5  -0.445200D+01 -0.346025D+01  0.490235D+01  0.210821D+02  0.469160D+01
      6  -0.355521D+01 -0.202509D+01  0.520321D+01  0.245652D+01  0.443014D+01
                81            82            83            84            85 
      1   0.107664D+02 -0.234832D+01 -0.114440D+02 -0.235985D+02 -0.165247D+02
      2  -0.993232D+01  0.347417D+01  0.837242D+01  0.125096D+02  0.142934D+02
      3  -0.834082D+00 -0.112585D+01  0.307160D+01  0.110889D+02  0.223125D+01
      4   0.399457D+01 -0.102445D+02 -0.519227D+01  0.116106D+01 -0.955812D+01
      5  -0.444478D+01 -0.236887D+02 -0.909030D+00 -0.994065D+01 -0.352619D+01
      6  -0.815990D+00  0.409889D+01  0.802246D+00  0.860446D+00  0.165758D+01
                86            87            88            89            90 
      1  -0.417220D+00 -0.873609D+00 -0.290251D+02 -0.722911D+00 -0.127536D+02
      2  -0.969406D+01 -0.263745D+01  0.147896D+02 -0.277950D+01  0.104939D+02
      3   0.101113D+02  0.351106D+01  0.142355D+02  0.350241D+01  0.225963D+01
      4   0.255744D+02  0.691766D+01 -0.737977D+00  0.674103D+01 -0.976633D+01
      5   0.696830D+01 -0.125636D+02 -0.142197D+02 -0.113863D+02  0.887682D+01
      6  -0.529116D+01  0.120676D+01  0.491682D+00  0.150704D+01 -0.544201D+00
                91            92            93            94            95 
      1   0.102758D+02 -0.261974D+01 -0.746672D+01 -0.360487D+01  0.320112D+01
      2   0.107841D+02  0.839633D+01  0.125794D+02  0.109558D+02 -0.231295D+02
      3  -0.210599D+02 -0.577659D+01 -0.511265D+01 -0.735094D+01  0.199284D+02
      4  -0.576616D+01 -0.173431D+01  0.634255D+01 -0.233054D+01  0.139589D+02
      5  -0.270003D+01 -0.237462D+01 -0.219112D+02 -0.527549D+01 -0.272660D+01
      6   0.459794D+01 -0.256664D+01 -0.288884D+01 -0.383776D+01  0.107809D+02
                96            97            98            99           100 
      1   0.542940D+01 -0.774953D+01  0.689410D+01 -0.986313D+01 -0.253087D+00
      2   0.747508D+01  0.127434D+02  0.370544D+00  0.130874D+02 -0.907764D+01
      3  -0.129045D+02 -0.499385D+01 -0.726464D+01 -0.322425D+01  0.933073D+01
      4   0.184124D+01  0.560012D+01  0.393563D+01 -0.255248D+01 -0.119374D+01
      5  -0.975296D+01 -0.198800D+02 -0.683101D+01 -0.857705D+01 -0.100271D+02
      6   0.863378D+01 -0.139008D+01  0.985033D+01 -0.101028D+02 -0.371847D-01
               101           102           103           104           105 
      1  -0.368444D+00  0.779924D+01  0.221363D+01 -0.268682D+01 -0.759904D+01
      2   0.366762D+01  0.110804D+02  0.338462D+01 -0.165583D+01 -0.652442D+01
      3  -0.329917D+01 -0.188796D+02 -0.559825D+01  0.434266D+01  0.141235D+02
      4   0.214593D+01 -0.313766D+00  0.178246D+01 -0.100227D+01 -0.125606D+01
      5   0.199403D+01  0.143543D+02  0.279256D+01 -0.374642D+01 -0.456724D+01
      6  -0.445026D+01 -0.895960D+00 -0.255806D+01  0.523890D+01  0.589969D+01
               106           107           108           109           110 
      1   0.446062D+01 -0.246749D+01 -0.161362D+02  0.358811D+01  0.195920D+01
      2   0.736257D+01 -0.336661D+01 -0.212826D+02 -0.116691D+02  0.102599D+01
      3  -0.118232D+02  0.583411D+01  0.374188D+02  0.808099D+01 -0.298519D+01
      4  -0.347856D+00 -0.121278D+01 -0.109743D+01 -0.897005D+01  0.549201D+01
      5   0.112551D+02 -0.313813D+01 -0.135634D+02  0.217137D+02 -0.489008D+01
      6  -0.101092D+01  0.540465D+01  0.131846D+01 -0.720029D+01  0.734539D+01
               111           112           113           114           115 
      1  -0.295771D+01  0.130443D+01 -0.160553D+01  0.213206D+01 -0.183500D+01
      2  -0.102150D+02  0.967272D+00  0.141640D+01  0.183582D+00 -0.608558D+01
      3   0.131728D+02 -0.227170D+01  0.189138D+00 -0.231565D+01  0.792058D+01
      4  -0.668234D+01  0.548468D+01 -0.269215D+01  0.346119D+01 -0.400327D+01
      5   0.194477D+02 -0.416456D+01  0.424285D+01 -0.447841D+01  0.127828D+02
      6  -0.900035D+01  0.534895D+01 -0.542179D+01  0.695102D+01 -0.574358D+01
               116           117           118           119           120 
      1   0.159600D+01 -0.679207D+01 -0.274526D+01  0.115965D+02 -0.366462D+01
      2   0.287546D+00 -0.114403D+02  0.834899D+01 -0.208816D+02  0.257165D+01
      3  -0.188355D+01  0.182324D+02 -0.560374D+01  0.928509D+01  0.109297D+01
      4   0.206958D+01 -0.488722D+01 -0.575405D+01  0.111110D+02 -0.290792D+01
      5  -0.396490D+01  0.132230D+02  0.131878D+01 -0.359832D+01  0.219405D+01
      6   0.490958D+01 -0.769512D+01 -0.508602D+01  0.837062D+01 -0.516974D+01
               121           122           123           124           125 
      1   0.653611D+01 -0.297539D+02  0.601209D+01 -0.134418D+01  0.352557D+01
      2  -0.108276D+02  0.538003D+02 -0.774736D+01  0.816130D-01 -0.296242D+01
      3   0.429150D+01 -0.240464D+02  0.173527D+01  0.126257D+01 -0.563149D+00
      4   0.876681D+01 -0.742565D+01  0.589503D+00 -0.157147D+01  0.318472D+00
      5  -0.293654D+01  0.237837D+01 -0.600267D+00  0.196668D+01 -0.565791D+00
      6   0.342169D+01 -0.197941D+02  0.106858D+02 -0.238790D+01  0.974080D+01
               126           127           128           129           130 
      1  -0.477743D+01  0.178832D+02  0.229347D+01 -0.157380D+01  0.849509D+00
      2   0.477951D+01 -0.322027D+01  0.536107D+01  0.672329D+00  0.341181D+01
      3  -0.207634D-02 -0.146630D+02 -0.765454D+01  0.901475D+00 -0.426132D+01
      4  -0.218753D+01  0.293276D+02  0.184849D+02 -0.104705D+02  0.112270D+02
      5   0.103003D+01 -0.179265D+02 -0.834368D+01  0.101396D+02 -0.386280D+01
      6  -0.321688D+01 -0.129444D+02 -0.941399D+01  0.103911D+02 -0.517848D+01
               131           132           133           134           135 
      1  -0.109260D+01  0.773714D+00 -0.197840D+01  0.981545D+00  0.845917D+00
      2   0.780865D+01 -0.300067D+01  0.181321D+01 -0.256362D+01 -0.299195D+01
      3  -0.671605D+01  0.222695D+01  0.165192D+00  0.158208D+01  0.214603D+01
      4   0.917020D+01 -0.432338D+01 -0.822377D+01 -0.546088D+01  0.679963D+01
      5  -0.424053D+01  0.257233D+01  0.983796D+01  0.436064D+01 -0.683244D+01
      6  -0.716359D+01  0.430746D+01  0.789857D+01  0.652013D+01 -0.662152D+01
               136           137           138           139           140 
      1  -0.843495D+00  0.112640D+01 -0.163599D+00  0.197009D+01 -0.288905D+01
      2  -0.383612D+01 -0.119240D+01  0.411941D+01 -0.267130D+01  0.596230D+00
      3   0.467962D+01  0.660034D-01 -0.395581D+01  0.701210D+00  0.229282D+01
      4  -0.118807D+01  0.394176D+01  0.351541D+01  0.124727D+01 -0.212425D+01
      5  -0.453214D+01  0.119751D+01  0.982857D+01 -0.214220D+01 -0.171383D+01
      6   0.199646D+01 -0.202292D+01 -0.262790D+01 -0.803960D+00  0.130466D+01
               141           142           143           144           145 
      1   0.116070D+00 -0.111222D+01 -0.498895D+01 -0.228620D+02  0.554876D+01
      2   0.543341D+01  0.508154D+01  0.832929D+00 -0.215329D+02  0.532512D+01
      3  -0.554948D+01 -0.396932D+01  0.415602D+01  0.443949D+02 -0.108739D+02
      4  -0.118482D+01  0.376303D+01 -0.292478D+01 -0.653981D+01 -0.160752D+02
      5   0.300958D+01  0.926716D+01 -0.307295D+01 -0.199880D+02 -0.395621D+01
      6   0.434897D+01 -0.389765D+01  0.863499D+01  0.202386D+02  0.363912D+01
               146           147           148           149           150 
      1   0.419978D+00  0.159495D+01 -0.202470D+00 -0.123396D+02 -0.172534D+01
      2  -0.109569D+02 -0.124062D+01 -0.101450D+02  0.336169D+02  0.141221D+01
      3   0.105369D+02 -0.354335D+00  0.103475D+02 -0.212773D+02  0.313128D+00
      4   0.203490D+02  0.302637D+01  0.172153D+02 -0.277377D+02 -0.277348D+01
      5   0.544340D+01  0.387708D+01  0.429439D+01 -0.434468D+01 -0.321277D+01
      6  -0.658666D+01 -0.403220D+01 -0.562807D+01  0.118292D+02  0.650872D+01
               151           152           153           154           155 
      1   0.230868D+01 -0.172170D+00 -0.330096D+01  0.547194D+01 -0.727025D+00
      2   0.774086D+00 -0.530633D+01  0.158965D+01 -0.667000D+00  0.539578D+01
      3  -0.308276D+01  0.547850D+01  0.171131D+01 -0.480494D+01 -0.466875D+01
      4  -0.350661D+01  0.413018D+01 -0.385204D+01  0.153206D+02  0.143767D+02
      5   0.131487D+01 -0.246582D+01 -0.115152D+01  0.132539D+02  0.809512D+01
      6  -0.215411D+01  0.444353D+01  0.181487D+01  0.105781D+02  0.926551D+01
               156           157           158           159           160 
      1   0.927394D+00 -0.149414D+01 -0.527593D+01 -0.363325D+01  0.620135D+00
      2  -0.113037D+01  0.522803D+01  0.108168D+02  0.437192D+01 -0.145806D+01
      3   0.202977D+00 -0.373390D+01 -0.554082D+01 -0.738665D+00  0.837924D+00
      4   0.102891D+02  0.113843D+02  0.122147D+02  0.730628D+01  0.930328D+01
      5   0.116292D+02  0.553073D+01  0.719450D+01  0.548284D+01  0.112969D+02
      6   0.940490D+01  0.732299D+01  0.114608D+02  0.117291D+02  0.910152D+01
               161           162           163           164           165 
      1  -0.425731D+01 -0.539175D+01  0.889873D+01 -0.195261D+01  0.129737D+01
      2   0.360452D+01 -0.250503D+00 -0.897831D+01  0.496559D+01 -0.761859D+01
      3   0.652784D+00  0.564225D+01  0.795815D-01 -0.301298D+01  0.632122D+01
      4   0.849793D+01  0.101605D+02  0.200840D+02  0.120743D+02  0.136885D+02
      5   0.759761D+01  0.126317D+02  0.207175D+02  0.739023D+01  0.177201D+02
      6   0.139083D+02  0.156042D+02  0.138229D+02  0.889723D+01  0.129477D+02
               166           167           168           169           170 
      1  -0.962537D+00 -0.452014D+00 -0.966604D+00  0.198657D+01 -0.236584D+01
      2   0.329377D+01  0.199055D+01  0.151101D+01 -0.715943D+01  0.360039D+00
      3  -0.233123D+01 -0.153854D+01 -0.544410D+00  0.517286D+01  0.200580D+01
      4   0.605721D+01  0.461343D+01  0.288521D+01  0.118703D+02  0.508396D+01
      5   0.178668D+01  0.340137D+01  0.107955D+01  0.151655D+02  0.477009D+01
      6   0.369133D+01  0.251621D+01  0.499626D+01  0.968522D+01  0.992384D+01
               171           172           173           174           175 
      1  -0.384661D+01 -0.595706D+00  0.190474D-01  0.449287D+00 -0.367001D+00
      2  -0.621529D+01  0.317857D+01  0.423952D+01 -0.251121D+01  0.452455D+01
      3   0.100619D+02 -0.258286D+01 -0.425856D+01  0.206193D+01 -0.415755D+01
      4   0.972683D+01  0.433528D+01  0.832188D+01 -0.119968D+01  0.752419D+01
      5   0.145829D+02  0.413049D+00  0.449019D+00  0.352121D+01  0.387330D+00
      6   0.139927D+02  0.417580D+00 -0.139806D+01  0.160695D+01 -0.143430D+01
               176           177           178           179           180 
      1  -0.136417D+02  0.410618D+01  0.331404D+00  0.925531D+01 -0.365289D+01
      2   0.341510D+02 -0.130290D+02 -0.374708D+01 -0.234779D+02  0.968159D+01
      3  -0.205093D+02  0.892285D+01  0.341568D+01  0.142226D+02 -0.602870D+01
      4   0.921727D+01 -0.389452D+01 -0.444868D+01 -0.767261D+01  0.355793D+01
      5  -0.233243D+01  0.165285D+01  0.231473D+01  0.221586D+01 -0.274611D+01
      6  -0.617105D+01  0.915523D+01  0.123320D+01  0.824346D+01 -0.120902D+02
               181           182           183           184           185 
      1  -0.289754D+01  0.939265D+01  0.890599D+01  0.448207D+01 -0.813182D+01
      2   0.403511D+00 -0.102852D+02 -0.200295D+01 -0.508077D+01  0.100539D+02
      3   0.249403D+01  0.892574D+00 -0.690304D+01  0.598700D+00 -0.192212D+01
      4  -0.135996D+02  0.872728D+01  0.960709D+01  0.627453D+01 -0.650468D+01
      5  -0.947730D+01  0.544445D+01  0.861563D+01  0.290992D+01 -0.438054D+01
      6   0.111352D+02 -0.130307D+02 -0.134021D+02 -0.669247D+01  0.915162D+01
               186           187           188           189           190 
      1  -0.578041D+01  0.546906D+01 -0.836478D+01 -0.115129D+02  0.453236D+01
      2   0.351934D+01 -0.122100D+01  0.435062D+01  0.854776D+00 -0.438552D+01
      3   0.226107D+01 -0.424806D+01  0.401417D+01  0.106581D+02 -0.146842D+00
      4  -0.483939D+01  0.882921D+01 -0.524554D+01 -0.589462D+01  0.344918D+01
      5  -0.240504D+01  0.800939D+01 -0.289628D+01 -0.570721D+01 -0.517834D+01
      6   0.100976D+02 -0.775448D+01  0.141195D+02  0.169033D+02 -0.104156D+01
               191           192           193           194           195 
      1   0.470277D+01 -0.447910D+01  0.103614D+02 -0.101855D+01 -0.114557D+01
      2  -0.318603D+01  0.447683D+01 -0.693260D+01  0.146032D+01  0.290282D+01
      3  -0.151674D+01  0.226630D-02 -0.342884D+01 -0.441769D+00 -0.175725D+01
      4   0.277576D+01 -0.192450D+01  0.330480D+01  0.358187D+01 -0.580648D+01
      5  -0.299836D+01  0.101743D+02 -0.445549D+01 -0.548376D+01  0.934874D+01
      6  -0.412640D+00 -0.123415D+00 -0.113108D+00 -0.190873D+01  0.209806D+01
               196           197           198           199           200 
      1  -0.106654D+02  0.290385D+00  0.399978D+01  0.616768D+01 -0.488632D+01
      2   0.801706D+01  0.230700D+01 -0.120563D+02 -0.349752D+00  0.869973D-01
      3   0.264834D+01 -0.259739D+01  0.805648D+01 -0.581792D+01  0.479932D+01
      4  -0.721020D+00 -0.764026D+01  0.636220D+01 -0.740686D+01  0.109429D+02
      5   0.146724D+02  0.727376D+01 -0.249041D+02  0.220649D+00  0.241215D+01
      6  -0.102929D+01  0.315698D+01  0.629498D+00  0.125179D+01 -0.124255D+01
               201           202           203           204           205 
      1   0.940242D+00 -0.103038D+02 -0.261456D+01  0.403531D+00  0.139290D+01
      2  -0.732835D+00 -0.127484D+01  0.200814D+02  0.160173D+01 -0.107055D+01
      3  -0.207407D+00  0.115786D+02 -0.174668D+02 -0.200527D+01 -0.322348D+00
      4   0.214739D+01  0.202221D+02 -0.371379D+02 -0.571278D+01  0.285595D+01
      5   0.311105D+01  0.396386D+01 -0.519495D+01 -0.582772D+01  0.523442D+01
      6  -0.886514D+00 -0.242331D+01  0.705484D+01  0.635375D+01 -0.211656D+01
               206           207           208           209           210 
      1  -0.169571D+00  0.657367D+00  0.488744D+02  0.604732D+01  0.158165D+02
      2   0.169348D+01  0.436861D+00 -0.265276D+02 -0.367945D+01 -0.943270D+01
      3  -0.152391D+01 -0.109423D+01 -0.223468D+02 -0.236787D+01 -0.638381D+01
      4  -0.512218D+01 -0.388954D+01  0.273725D+01  0.778824D+01  0.996848D+00
      5  -0.407129D+01 -0.355502D+01  0.184949D+02  0.210664D+01  0.136547D+02
      6   0.570379D+01  0.229962D+01 -0.172690D+01  0.554111D+00 -0.123670D+01
               211           212           213           214           215 
      1   0.142951D+02  0.563128D+01  0.350550D+01  0.284195D+02  0.218159D+01
      2  -0.823751D+01 -0.146508D+01 -0.197814D+01 -0.165625D+02 -0.131810D+01
      3  -0.605760D+01 -0.416619D+01 -0.152736D+01 -0.118570D+02 -0.863495D+00
      4   0.948902D+01  0.222312D+01  0.303295D+01  0.630084D+00  0.537704D+01
      5   0.518407D+01  0.296978D+01  0.579326D+01  0.187843D+02  0.331808D+01
      6   0.973549D+00  0.142370D+01  0.150594D+01 -0.112391D+01  0.168997D+01
               216           217           218           219           220 
      1   0.116829D+02 -0.476139D+01 -0.405302D+01  0.109632D+02 -0.108920D+01
      2  -0.101795D+02 -0.435620D+01  0.111522D+01  0.387768D+01 -0.463905D+00
      3  -0.150336D+01  0.911759D+01  0.293780D+01 -0.148409D+02  0.155310D+01
      4   0.245729D+01  0.919124D+01  0.227541D+01 -0.482103D+01  0.230967D+01
      5   0.150645D+02 -0.160206D+02  0.173315D+00  0.972183D+01  0.880861D+00
      6  -0.115520D+01 -0.305458D+01 -0.737990D+01  0.864869D+01 -0.393905D+01
               221           222           223           224           225 
      1  -0.205434D+01  0.439621D+00  0.671367D+01  0.132484D+01 -0.841625D+01
      2   0.339470D+01 -0.224674D+01  0.217573D+01 -0.741136D+00 -0.728498D+01
      3  -0.134035D+01  0.180712D+01 -0.888939D+01 -0.583703D+00  0.157012D+02
      4  -0.236722D+00 -0.953517D+00 -0.435503D+01 -0.134287D+01  0.367553D+01
      5  -0.280379D+01  0.236502D+01  0.101165D+02  0.155229D+01 -0.587488D+01
      6  -0.898479D+00  0.205247D+01  0.403105D+01  0.313634D+01 -0.521598D+01
               226           227           228           229           230 
      1   0.795192D+01  0.192903D+01  0.970295D+00  0.299254D+01 -0.290189D+00
      2  -0.163162D+02 -0.318751D+01 -0.169131D+02 -0.635696D+01 -0.567937D+00
      3   0.836430D+01  0.125849D+01  0.159428D+02  0.336442D+01  0.858126D+00
      4  -0.374611D+01  0.396333D+01 -0.432225D+01  0.222308D+01  0.373578D+00
      5   0.223118D+02  0.830888D+00  0.242989D+02  0.715348D+01  0.459203D+01
      6  -0.201459D+01  0.556235D+01 -0.371680D+01  0.358188D+01  0.184881D+01
               231           232           233           234           235 
      1  -0.168646D+01  0.147235D+01  0.479199D-01 -0.673143D+01 -0.120828D+00
      2  -0.789822D+01 -0.136338D+02 -0.238006D+01 -0.229999D+02  0.197805D+01
      3   0.958468D+01  0.121615D+02  0.233214D+01  0.297313D+02 -0.185722D+01
      4   0.192356D+01 -0.368970D+01  0.213953D+01 -0.270124D+01 -0.477121D+01
      5   0.822667D+01  0.197818D+02  0.149289D+01  0.253250D+02  0.237336D+01
      6   0.354568D+01 -0.214994D+01  0.482510D+01 -0.431587D+01 -0.331602D+01
               236           237           238           239           240 
      1  -0.595772D+00 -0.223310D+00 -0.351041D+00 -0.176590D+02  0.505790D+01
      2  -0.414702D+01 -0.137464D+01 -0.521028D+01  0.379227D+02 -0.158710D+01
      3   0.474279D+01  0.159795D+01  0.556132D+01 -0.202637D+02 -0.347079D+01
      4   0.884782D+01 -0.174026D+01  0.997668D+01 -0.190484D+02  0.288654D+01
      5  -0.335529D+01  0.453865D+01 -0.436212D+01  0.552650D+01 -0.313223D+01
      6   0.437439D+01 -0.160839D+01  0.516398D+01 -0.253347D+02  0.102632D+02
               241           242           243 
      1  -0.562106D+00  0.231635D+00 -0.100361D+01
      2  -0.166719D+01  0.406477D+01  0.183212D+01
      3   0.222930D+01 -0.429641D+01 -0.828507D+00
      4   0.987543D+00 -0.196022D+01 -0.136340D+01
      5   0.236820D+01 -0.544916D+00  0.774214D+00
      6  -0.460306D+00  0.352425D+01 -0.162669D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124878D+01      0.317408D+01      0.105876D+02
   x          0.119406D+01      0.303501D+01      0.101237D+02
   y          0.361083D+00      0.917782D+00      0.306139D+01
   z         -0.572722D-01     -0.145571D+00     -0.485574D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111083D+03      0.164608D+02      0.183152D+02
   aniso      0.677782D+01      0.100437D+01      0.111751D+01
   xx         0.114673D+03      0.169928D+02      0.189071D+02
   yx         0.741876D+00      0.109935D+00      0.122319D+00
   yy         0.111152D+03      0.164711D+02      0.183266D+02
   zx        -0.758278D-01     -0.112365D-01     -0.125023D-01
   zy         0.127064D+01      0.188290D+00      0.209500D+00
   zz         0.107424D+03      0.159186D+02      0.177118D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.113557D+03      0.168274D+02      0.187230D+02
   aniso      0.785583D+01      0.116411D+01      0.129525D+01
   xx         0.117960D+03      0.174799D+02      0.194490D+02
   yx         0.101897D+01      0.150996D+00      0.168006D+00
   yy         0.113186D+03      0.167725D+02      0.186619D+02
   zx        -0.244087D+00     -0.361700D-01     -0.402445D-01
   zy         0.125845D+01      0.186483D+00      0.207490D+00
   zz         0.109525D+03      0.162299D+02      0.180582D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.55440022         -1.17173471          1.46637180
     6          1.24713593         -0.40281855         -0.74703837
     6          2.61574463          1.95369828          0.37119695
     6          0.61118167          3.20421283          2.11301033
     6         -1.72790882          1.51709188          1.71388342
     6         -0.64851552          0.75767177         -2.59136653
     6         -2.67770388          2.04378602         -0.97888926
     6          2.96269757         -2.37144722         -1.89400782
     8         -0.55861599          0.69570881         -4.86420062
     6          0.81723188         -2.06481574          3.84584418
     6         -2.45868432         -3.22133534          0.72414468
     1          4.27649071          1.34110061          1.42471294
     1          3.28137911          3.20941930         -1.12036676
     1          0.22713334          5.15972960          1.59196226
     1          1.21840752          3.21039407          4.07944558
     1         -4.51226610          1.19815270         -1.38517635
     1         -2.81080301          4.04784575         -1.44331081
     1         -3.16957693          1.69960168          3.17277441
     1          4.00883928         -1.57506098         -3.48141387
     1          1.88647425         -3.97428452         -2.61650711
     1          4.32140922         -3.06823164         -0.50746853
     1          2.27154457         -0.76486114          4.49357797
     1          1.71470381         -3.89260491          3.51756908
     1         -0.53462285         -2.30896400          5.38737421
     1         -3.40765854         -2.85339603         -1.06519045
     1         -3.90895316         -3.41456202          2.18009863
     1         -1.51424252         -5.04581279          0.54663261

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124878D+01      0.317408D+01      0.105876D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124878D+01      0.317408D+01      0.105876D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111083D+03      0.164608D+02      0.183152D+02
   aniso      0.677782D+01      0.100437D+01      0.111751D+01
   xx         0.108442D+03      0.160694D+02      0.178797D+02
   yx        -0.200503D+01     -0.297115D+00     -0.330585D+00
   yy         0.110061D+03      0.163093D+02      0.181466D+02
   zx        -0.484440D+00     -0.717866D-01     -0.798734D-01
   zy        -0.579415D+00     -0.858605D-01     -0.955326D-01
   zz         0.114747D+03      0.170037D+02      0.189192D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.113557D+03      0.168274D+02      0.187230D+02
   aniso      0.785583D+01      0.116411D+01      0.129525D+01
   xx         0.110539D+03      0.163802D+02      0.182255D+02
   yx        -0.200280D+01     -0.296784D+00     -0.330217D+00
   yy         0.112037D+03      0.166022D+02      0.184725D+02
   zx        -0.347546D+00     -0.515010D-01     -0.573026D-01
   zy        -0.661207D+00     -0.979808D-01     -0.109018D+00
   zz         0.118095D+03      0.174998D+02      0.194712D+02

 ----------------------------------------------------------------------
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 IF YOU WANT TO LEARN FROM THE THEORETICAL PHYSICISTS ABOUT THE
 METHODS WHICH THEY USE, I ADVISE YOU TO FOLLOW THIS PRINCIPLE VERY STRICTLY:
 DON'T LISTEN TO THEIR WORDS; PAY ATTENTION, INSTEAD, TO THEIR ACTIONS.
 -- A.EINSTEIN, 1934
 Job cpu time:       0 days  5 hours  4 minutes 11.2 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 25.4 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 20:28:42 2021.
